245 SMILES Strings for Serine/threonine-protein kinase 17A

Compound Name
SMILES String
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r|
NCCCNc1nc(Nc2ccc(Cl)cc2)ncc1Cl
NCCCNc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1Cl
CC(C)c1ccc(Nc2ncc(Cl)c(NCCCN)n2)cc1
CCCCCc1ccc(Nc2ncc(Cl)c(NCCCN)n2)cc1
CCCCCCCCc1ccc(Nc2ncc(Cl)c(NCCCN)n2)cc1
Cc1ccc(Nc2ncc(Cl)c(NCCCN)n2)cc1Cl
NCCCNc1nc(Nc2ccc(F)c(Cl)c2)ncc1Cl
NCCCNc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1Cl
NCCCNc1nc(Nc2ccc(F)cc2)ncc1Cl
NCCCNc1nc(Nc2ccc(Oc3ccccc3)cc2)ncc1Cl
CCc1ccc(Nc2ncc(Cl)c(NCCCN)n2)cc1
CCCCCCc1ccc(Nc2ncc(Cl)c(NCCCN)n2)cc1
NCCCNc1nc(Nc2ccc(cc2)S(=O)(=O)c2ccc(cc2)[N+]([O-])=O)ncc1Cl
Cc1ccc(Nc2ncc(Cl)c(NCCCN)n2)cc1C
NCCCNc1nc(Nc2ccc(F)c(c2)C(F)(F)F)ncc1Cl
NCCCNc1nc(Nc2ccc(Br)c(c2)C(F)(F)F)ncc1Cl
NCCCNc1nc(Nc2ccc(Br)cc2)ncc1Cl
COc1ccc(Nc2ncc(Cl)c(NCCCN)n2)cc1Cl
Cc1cnc(Nc2ccc(Cl)cc2)nc1NCCCN
NCCCNc1nc(Nc2ccc3OCOc3c2)ncc1Cl
NCCCNc1nc(Nc2ccc3CCCc3c2)ncc1Cl
NCCCNc1nc(Nc2ccc3OCCOc3c2)ncc1Cl
NCCCNc1nc(Nc2ccc3CCCCc3c2)ncc1Cl
NCCCNc1nc(Nc2ccc3C(=O)CCCc3c2)ncc1Cl
NCCCNc1nc(Nc2ccc(cc2)N2CCNCC2)ncc1Cl
NCCCNc1nc(Nc2ccc(cc2)C2CCNCC2)ncc1Cl
Cc1ccc(Nc2ncc(C)c(NCCCN)n2)cc1Cl
Cc1cnc(Nc2ccc(F)cc2)nc1NCCCN
Cc1cnc(Nc2ccc(cc2)N2CCNCC2)nc1NCCCN
Cc1cnc(Nc2ccc3CCCCc3c2)nc1NCCCN
Cc1cnc(Nc2ccc(F)c(c2)C(F)(F)F)nc1NCCCN
Cc1cnc(Nc2ccc(Br)c(c2)C(F)(F)F)nc1NCCCN
Cc1cnc(Nc2ccc(Oc3ccccc3)cc2)nc1NCCCN
Cc1cnc(Nc2ccc(cc2)S(=O)(=O)c2ccc(cc2)[N+]([O-])=O)nc1NCCCN
Cc1cnc(Nc2ccc(Br)cc2)nc1NCCCN
Cc1cnc(Nc2ccc3OCCOc3c2)nc1NCCCN
Cc1ccc(Nc2ncc(C)c(NCCCN)n2)cc1C
Cc1cnc(Nc2ccc(F)c(Cl)c2)nc1NCCCN
Cc1cnc(Nc2ccc(Cl)c(Cl)c2)nc1NCCCN
NCCCCNc1nc(Nc2ccc(Cl)cc2)ncc1Cl
NCCCCNc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1Cl
NCCCNc1nc(Nc2ccc(Cl)cc2)ncc1F
NCCCNc1nc(Nc2ccc(Cl)cc2)ncc1C(F)(F)F
COc1cnc(Nc2ccc(Cl)cc2)nc1NCCCN
NCCCNc1ccnc(Nc2ccc(Cl)cc2)n1
NCCCNc1nc(Nc2ccc(Cl)cc2)ncc1[N+]([O-])=O
NCCCNc1nc(Nc2ccc(Cl)cc2)ncc1Br
CC(C)(C)OC(=O)NCCCNc1nc(Cl)ncc1Cl
NCCNc1nc(Nc2ccc(Cl)cc2)ncc1Cl
Cc1cnc(Nc2ccc(Cl)cc2)nc1NCCN
CC1=C2C(=O)NC3(N2C(=O)C(=C1)Nc4cc(ncn4)N)CCCCC3
Cc1cc(cc2c1C(=O)N(C2)[C@@H](C)C3CC3)c4c(nc(s4)NC(=O)C)C
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
COc1cc(Br)cc2[nH]cc(-c3oc(nc3I)-c3ccc[nH]3)c12
COc1cc2c(c[nH]c2cc1Br)-c1cnc(o1)-c1ccc[nH]1
COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3ccc[nH]3)c12
COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3ccc(Br)[nH]3)c12
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
COCc1cc(ncn1)-c1ccc2nc(Nc3cc(ccn3)[C@@H](C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1 |r|
Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1
C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CC3)c2)c1 |r|
CNc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1
CN(C)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1
C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1 |r|
C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N(C)C)c1 |r|
C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CCC3)c2)c1 |r|
OC(=O)CSc1ncnc2sc(cc12)-c1cc2ccccc2s1
OC(=O)COc1ncnc2cc(sc12)-c1ccc2[nH]ncc2c1
NC(=O)c1ccc(cc1)-c1cc2ncnc(SCC(O)=O)c2s1
CSc1ccc(cc1)-c1cc2ncnc(SCC(O)=O)c2s1
OC(=O)CSc1ncnc2cc(sc12)-c1cc2ccccc2s1
O=C(NCCCNc1ccnc(Nc2cccc(NC(=O)N3CCCC3)c2)n1)C1CCC1
Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCCCNC(=O)C2CCC2)n1
Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCCc2c[nH]cn2)n1
Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCc2ccc(cc2)S(N)(=O)=O)n1
Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCCCNC(=O)C2CCC2)n1
NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2Br)cc1
Cc1nn(CC(F)(F)F)cc1Nc1nccc(NCCCNC(=O)C2CCC2)n1
Brc1cnc(Nc2cccc(CN3CCOCC3)c2)nc1NCCc1c[nH]cn1
Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCCc2cnc[nH]2)n1
NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2C2CC2)cc1
Cc1nn(CC(F)(F)F)cc1Nc1nccc(NCc2ccc(cc2)S(N)(=O)=O)n1
NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2Br)cc1
C(Cc1c[nH]cn1)Nc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1
Cc1nn(CC(F)(F)F)cc1Nc1nccc(NCCc2cnc[nH]2)n1
NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(NC(=O)N4CCCC4)c3)n2)cc1
Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)C1CCC1
NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1
C(Cc1cnc[nH]1)Nc1ccnc(Nc2cccc(CN3CCOCC3)c2)n1
NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2C2CC2)cc1
O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1C1CC1)C1CCC1
c1cc(cc(c1)Nc2ncc(c(n2)NCCCNC(=O)C3CCC3)C4CC4)CN5CCOCC5
Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Oc1c2cccc3N=Nc(c23)c2ccccc12 |c:7|
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
Fc1ccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)cc1
C[C@H](NC(=O)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1)c1ccncc1 |r|
CC(C)(C)NC(=O)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1
O=C(NCc1ccccc1)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1
CC(NC(=O)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1)c1ccccc1
CN1CCN(CC1)C(=O)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1
O=C(N1CCOCC1)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1
COc1cnc(Nc2ccc(CS(C)(=O)=O)cc2)nc1Nc1cc([nH]n1)C1CC1
c1cc(-c2ccc3nc(N4CCCC4)ncc3c2)nc(Nc2ccc(N3CCNCC3)nc2)n1
c1cc(-c2ccc3nc(N4CCCC4)ncc3c2)nc(Nc2ccc(N3CCNCC3)cc2)n1
c1cc(-c2ccc3nc(N4CCCC4)ncc3c2)nc(Nc2ccc(N3CCOCC3)cc2)n1
CN1CCN(c2ccc(Nc3nccc(-c4ccc5nc(N6CCCC6)ncc5c4)n3)cc2)CC1
OCCN1C[C@@H]2C[C@H]1CN2c1ccc(Nc2ncc(F)c(-c3ccc4nc(N5CCCC5)ncc4c3)n2)cn1
COC(=O)N1CCC(c2ccc(Nc3nccc(-c4ccc5nc(N6CCCC6)ncc5c4)n3)cn2)CC1
c1cc(-c2ccc3nc(N4CCCC4)ncc3c2)nc(Nc2ccc(OC3CCNCC3)cc2)n1
c1cc(-c2ccc3nc(N4CCCC4)ncc3c2)nc(Nc2cnn(C3CCNCC3)c2)n1
CC(C)NC(=O)c1ccc(Nc2nccc(-c3ccc4nc(N5CCCC5)ncc4c3)n2)cc1
CC(C)NC(=O)c1cccc(Nc2nccc(-c3ccc4nc(N5CCCC5)ncc4c3)n2)c1
O=C(NC1CCNCC1)c1ccc(Nc2nccc(-c3ccc4nc(N5CCCC5)ncc4c3)n2)cc1
CC(C)NC(=O)c1ccc(Nc2nccc(-c3ccc4nc(N5CCCC5)ncc4c3)n2)cn1
CC(C)NC(=O)c1ccc(Nc2ncc(F)c(-c3ccc4nc(N5CCCC5)ncc4c3)n2)cc1
CC(C)NC(=O)c1ccc(Nc2nccc(-c3ccc4nc(N5CCOCC5)ncc4c3)n2)cc1
c1cc(-c2ccc3nc(N4CCOCC4)ncc3c2)nc(Nc2ccc(N3CCNCC3)cc2)n1
c1cc(-c2ccc3nc(N4CCOCC4)ncc3c2)nc(Nc2cnn(C3CCNCC3)c2)n1
OCCN1CCC(n2cc(Nc3ncc(F)c(-c4ccc5nc(N6CCOCC6)ncc5c4)n3)cn2)CC1
COC(=O)N1CCC(c2ccc(Nc3nccc(-c4ccc5nc(N6C[C@@H]7C[C@H]6CO7)ncc5c4)n3)cn2)CC1
OCCN1CCC(c2ccc(Nc3nccc(-c4ccc5nc(N6C[C@@H]7C[C@H]6CO7)ncc5c4)n3)cn2)CC1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3O[C@H]3C[C@@H](O)C3)OC(C)(C)C4)n2)cn1
O=C(N[C@@H](C1CC1)C(F)(F)F)c1cc(-c2cnn3cc(-c4ccc(F)cc4)cnc23)cs1
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
Cc1ccc(cn1)c2ccc3c(n2)ccc4c3c5c(s4)C(=O)N[C@@H](CN5)C
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
NC(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(F)cc2)cc1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
COC(=O)c1c(Cc2ccc(cc2)C(=O)NCCO)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
Cc1nc(NC(=O)C(C)(C)CC(F)(F)F)sc1-c1ccc(N)nc1
C[C@H](CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 |r|
CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2n1
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
O=C1NC(=S)S\C1=C/c1ccc2ncccc2c1
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(NC(=O)c3ccc(cc3)[N+]([O-])=O)cc12
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc12
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc12
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc12
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(NC(=O)c3ccccc3)cc12
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(NC(=O)C3CCCCC3)cc12
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(NC(=O)C3CC3)cc12
[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-c1ccc2-[#7]-[#6](=O)\[#6](=[#6]3/[#7]-c4ccccc4/[#6]/3=[#7]\[#8])-c2c1
CC(C)(C)CC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
CC(C)(C)C(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
CCCCC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
CCCC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(NC(=O)c3cccc4ccccc34)cc12
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(NC(=O)\C=C\c3ccccc3)cc12
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(NC(=O)COc3cccc(Cl)c3)cc12
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc12
COc1ccc(cc1)C(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
Cc1ccc(cc1)C(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(NC(=O)c3cc(cc(c3)[N+]([O-])=O)[N+]([O-])=O)cc12
CCOc1cc(\C=C2/Oc3ccc(OC)cc3C2=O)ccc1O
Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Nc1c(sc2ncc(cc12)-c1ccsc1)-c1n[nH]c(=S)o1
COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1