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67 SMILES Strings for NAD-dependent deacetylase sirtuin 1

Compound NameSMILES String
BDBM27507 NC(=O)c1cccnc1
BDBM29040 Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1
BDBM32102 Cn1ncnc2c1nc(=O)n(C)c2=O
BDBM99917 CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1
BDBM50178767 NC(=O)C1CCCc2c1[nH]c1ccccc21
BDBM50178772 NC(=O)C1CCCc2c1[nH]c1ccc(O)cc21
BDBM50215507 COc1ccc2[nH]c3C(CCCc3c2c1)C(O)=O |w:8.17|
BDBM50297159 NC(=O)c1ccccc1Nc1ccccc1
BDBM50309827 CC(C(=O)Nc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
BDBM50337278 OC(=O)c1ccccc1Nc1ccccc1
BDBM50346551 O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]/c1ccc(cc1)-c1ccccc1
BDBM50392084 NC(=O)c1ccccc1Oc1ccccc1
BDBM50392085 CN(c1ccccc1)c1ccccc1C(N)=O
BDBM50396052 O=C1N(CCNCCCNCCCNCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c2cccc3cccc1c23
BDBM50438910 Cc1ccc(cc1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
BDBM50190132 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](-[#8])=[#6](-[#6]-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]2=O)[C@@]1([#6])[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r,t:19,TLB:39:38:40.11.10:18.20.30|
BDBM50190131 [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](-[#8])=[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]2=O)[C@@]1([#6])[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r,t:19,THB:40:39:20.18.31:41.11.10|
BDBM50193043 O=C1CC(=S)NC(=O)\C1=C\c1cc2ccccc2[nH]1
BDBM50195222 [#6]-[#8]-[#6]1=[#6](-[#6](=O)-c2ccccc2)-[#6](=O)[C@]2([#6]\[#6]=[#6](/[#6])-[#6])[#6]-[#6@@H](-[#6](-[#8])=O)C([#6])([#6])[C@@]1([#6]\[#6]=[#6](\[#6])-[#6])[#6]2=O |r,c:2,TLB:35:34:25.20.21:2.12.3|
BDBM50193044 Oc1ccccc1-c1nc2ccc(Cl)cn2c1NCc1ccc2OCOc2c1
BDBM50193047 NC(=O)c1cccc(Nc2ccccc2)c1
BDBM50193056 [#7]-[#6]-1=[#6](C#N)\[#6](=[#6]-2\[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)-[#6](C#N)=[#6](-[#7]-1)-[#16]-[#6]-[#6](=O)-c1ccc(-[#8])c(-[#8])c1 |c:1,7,11,16|
BDBM50193073 [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11|
BDBM50193075 Cc1ccc2[nH]c3C(CCCc3c2c1)C(O)=O
BDBM50193076 Fc1cccc(c1)-n1cc(CSC(=S)N2CCN(CC2)C(=S)SCc2cn(nn2)-c2ccccc2F)nn1
BDBM50193078 [#6]-[#6](-[#6])-[#6](=O)[C@@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])=[#6](-[#8]-[#6]-[#6](-[#8])=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,t:13,TLB:42:41:8.14.6:26.27.33|
BDBM50209643 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCSc1nc2ccccc2s1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50209648 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCSc1nc2c(N)ncnc2[nH]1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50209649 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCSc1ncc(s1)-c1ccccc1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50209650 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCSc1nc2ccccc2[nH]1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50197506 CCCC[C@@H]1NC(=O)CCCCCCC(=O)NC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC1=O)C(N)=O |r|
BDBM50197508 CCCC[C@@H]1NC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC1=O)C(N)=O |r|
BDBM50193081 Brc1ccc2c3CC(C(=O)Oc3ccc2c1)c1ccccc1
BDBM50209630 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCSCc1ccccc1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50209631 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CI)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50209632 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CNC(=O)CI)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50209633 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCSc1cccc2ccccc12)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50209634 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CSc1nc2ccccc2s1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50193074 CN(C)\C=N\C(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
BDBM50193080 [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Nc1cc(NC(=O)Nc2cccc(c2)C(=O)Nc2cccc(c2)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc(c1)C(=O)Nc1cccc(c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
BDBM50209635 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCSc1nc2ccccc2o1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50209636 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCCCSc1nc2c(N)ncnc2[nH]1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50209637 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCSc1ccc2ccccc2c1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50209638 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCSc1nc2ccccc2s1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50209639 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCCCSc1nc2ccccc2s1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50209640 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCCSc1nc2ccccc2s1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50209641 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CSc1ncc(s1)-c1ccccc1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50209642 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CSCc1ccccc1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50209646 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CSc1nnc(\C=C\c2ccccc2)[nH]1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50209647 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CNC(=O)CNC(=O)CSc1nc2ccccc2s1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50197388 CC(=S)NCCCC[C@@H]1NC(=O)CNC(=O)CCCCCCC(=O)NCCCC[C@H](NC1=O)C(N)=O |r|
BDBM50197389 CC(=S)NCCCC[C@@H]1NC(=O)[C@H](Cc2csc3ccccc23)NC(=O)CCCCCCC(=O)NCCC[C@H](NC1=O)C(N)=O |r|
BDBM50197390 CC(=S)NCCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCCCCCC(=O)NCC[C@H](NC1=O)C(N)=O |r|
BDBM50197392 CC(=S)NCCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCCCCCC(=O)NCCCC[C@H](NC1=O)C(N)=O |r|
BDBM50197509 CC(=S)NCCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCCCCCC(=O)NCCC[C@H](NC1=O)C(N)=O |r|
BDBM50197510 CCCC[C@@H]1NC(=O)CCCCCCC(=O)NCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC1=O)C(N)=O |r|
BDBM50197511 CC(=S)NCCCC[C@@H]1NC(=O)CNCCC(=O)NCCCC[C@H](NC1=O)C(N)=O |r|
BDBM50193045 CCCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
BDBM50193046 OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)\C=C\c1ccc(O)c(O)c1
BDBM50193048 CCc1ccccc1-n1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc12 |(6.08,-32,;7.15,-33.1,;8.65,-32.73,;9.07,-31.25,;10.57,-30.87,;11.64,-31.98,;11.21,-33.45,;9.72,-33.83,;9.3,-35.31,;10.25,-36.51,;11.79,-36.46,;9.38,-37.79,;9.91,-39.24,;8.93,-40.42,;11.43,-39.5,;12.42,-38.33,;13.94,-38.59,;15.05,-37.51,;16.41,-38.24,;16.14,-39.76,;14.62,-39.97,;7.91,-37.37,;6.59,-38.19,;5.23,-37.46,;3.93,-38.27,;2.58,-37.55,;2.51,-36,;3.82,-35.2,;5.18,-35.92,;6.5,-35.11,;7.85,-35.83,)|
BDBM50193072 COCCCn1c(N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc12
BDBM50193077 Nc1c(c2nc3ccccc3nc2n1-c1ccc(F)cc1)S(=O)(=O)c1ccccc1
BDBM50197423 CC(=S)NCCCC[C@@H]1NC(=O)[C@H](Cc2csc3ccccc23)NC(=O)CCCCCCC(=O)NCCCC[C@H](NC1=O)C(N)=O |r|
BDBM50197391 CC(=S)NCCCC[C@@H]1NC(=O)[C@H](Cc2csc3ccccc23)NC(=O)CCCCCCC(=O)NC[C@H](NC1=O)C(N)=O |r|
BDBM50197512 CCCC[C@@H]1NC(=O)CCCCCCC(=O)NCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC1=O)C(N)=O |r|
BDBM50197514 CC(=S)NCCCC[C@@H]1NC(=O)[C@H](Cc2csc3ccccc23)NC(=O)CCCCCCC(=O)NCC[C@H](NC1=O)C(N)=O |r|
BDBM50197515 CC(=S)NCCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCCCCCC(=O)NC[C@H](NC1=O)C(N)=O |r|