107 SMILES Strings for Lysine-specific histone demethylase 1A/REST corepressor 1

Compound Name
SMILES String
N[C@@H]1C[C@H]1c1ccccc1 |r|
CN1CCN(CC1)c1cccc(NC(=O)c2cc3sccc3n2C)c1
O=C(Nc1ccccc1)c1cc2sccc2[nH]1
Cn1c(cc2sccc12)C(=O)Nc1cccc(COc2ccncc2)c1
Cn1c(cc2sccc12)C(=O)Nc1cccc(CN2CCOCC2)c1
Cn1c(C(=O)Nc2ccccc2)c(I)c2sc(I)cc12
NCCn1c(cc2sccc12)C(=O)Nc1ccccc1
Cn1ncc2cc(C(=O)Nc3ccccc3)n(C)c12
CN(C)Cc1c(C(=O)Nc2ccccc2)n(C)c2ccsc12
Cn1c2ccsc2cc1C(=O)Nc3cccc(c3)COC
Cn1c(cc2sccc12)C(=O)Nc1cccc(c1)C(N)=O
Cn1c(cc2sccc12)C(=O)Nc1cccc(Oc2ccncc2)c1
CC(=O)c1ccc(CN2CCC3(C2)CCNCC3)cc1
Cn1c(cc2sccc12)C(=O)Nc1cccc(F)c1
CN(C)Cc1cc2n(C)c(cc2s1)C(=O)Nc1ccccc1
Cc1csc2cc(C(=O)Nc3ccccc3)n(C)c12
Cn1c(cc2sccc12)C(=O)Nc1ccncn1
Cn1c(cc2sccc12)C(=O)Nc1cccc(Br)c1
Cn1c(cc2sc(F)cc12)C(=O)Nc1ccccc1
Cc1cc2n(C)c(cc2s1)C(=O)Nc1ccccc1
Cn1c(cc2ccsc12)C(=O)Nc1ccccc1
Cn1c(cc2sccc12)C(=O)Nc1ncccn1
Cn1c(cc2sc(Br)cc12)C(=O)Nc1ccccc1
CCCn1c(cc2sccc12)C(=O)Nc1ccccc1
CN1CCC(CC1)Oc1ccc(OCc2cccc(NC(=O)c3cc4sccc4n3C)c2)cc1
NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |wU:10.12,wD:8.8,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)|
Cn1c(cc2occc12)C(=O)Nc1ccccc1
Cn1c(cc2sccc12)C(=O)Nc1cccc(COc2ccc(O)cc2)c1
Cn1c(C(=O)Nc2ccccc2)c(Cl)c2sccc12
CN(C)c1cccc(NC(=O)c2cc3sccc3n2C)c1
CN(C)Cc1cccc(NC(=O)c2cc3sccc3n2C)c1
O=C(Nc1ccccc1)c1cc2sccc2s1
Cn1c(cc2scnc12)C(=O)Nc1ccccc1
COc1cccc(NC(=O)c2cc3sccc3n2C)c1
O=C(Nc1ccccc1)c1ccc2sccc2c1
Cn1cnc2[nH]c(cc12)C(=O)Nc1ccccc1
Cn1cnc2n(C)c(cc12)C(=O)Nc1ccccc1
Cn1c(cc2sccc12)C(=O)Nc1cccc(COc2ccccc2)c1
CCn1c(cc2sccc12)C(=O)Nc1ccccc1
Cn1c(C(=O)Nc2ccccc2)c(I)c2sccc12
Cc1c(C(=O)Nc2ccccc2)n(C)c2ccsc12
Cc1oc(cc1C(=O)Nc1ccccc1)-c1ccc(Cl)cc1[N+]([O-])=O
Cn1ccc2n(C)c(cc12)C(=O)Nc1ccccc1
Cn1c(cc2sccc12)C(=O)Nc1ccccc1
O=C(Nc1ccccc1)c1cc2sccc2n1S(=O)(=O)c1ccccc1
Cn1c(nc2sccc12)C(=O)Nc1ccccc1
COCc1c(C(=O)Nc2ccccc2)n(C)c2ccsc12
Cn1c(cc2sccc12)C(=O)Nc1cccc(CO)c1
Cn1c(cc2sccc12)C(=O)Nc1cccc(COc2ccc(OC3CCNCC3)cc2)c1
Cn1c(cc2ncsc12)C(=O)Nc1ccccc1
Cn1c(cc2sccc12)C(=O)Nc1ccccn1
CN1CCC(COc2cccc(NC(=O)c3cc4sccc4n3C)c2)CC1
Cn1c(cc2sccc12)C(=O)Nc1ccncc1
Cn1c(cc2sccc12)C(=O)Nc1cccc(Cl)c1
O=C(Nc1ccccc1)c1cc2sccc2n1-c1ccccc1
Cn1c(cc2sc(I)cc12)C(=O)Nc1ccccc1
Cn1c(cc2sccc12)C(=O)Nc1cccc(OCc2ccncc2)c1
Cc1nc([nH]c(=O)c1C)-n1nc(cc1NC(=O)COc1ccccc1F)-c1cccs1
Cn1c(cc2sccc12)C(=O)Nc1cccnc1
Cc1sc2cc(C(=O)Nc3ccccc3)n(C)c2c1C
CSCc1cccc(NC(=O)c2cc3sccc3n2C)c1
COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC2CCCNCC2)cc1
Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC2CCCNC2)cc1
Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(O[C@@H]2CC[C@H](N)CC2)cc1 |r,wU:25.27,28.31,(14.53,-17.47,;14.07,-18.95,;14.98,-20.18,;14.08,-21.43,;12.62,-20.96,;11.16,-21.45,;10.24,-20.21,;11.14,-18.95,;12.6,-19.42,;16.52,-20.17,;17.3,-21.5,;17.29,-18.83,;18.83,-18.83,;19.6,-20.16,;21.14,-20.15,;21.91,-18.81,;21.13,-17.48,;19.59,-17.49,;18.81,-16.16,;19.57,-14.82,;21.11,-14.81,;21.88,-13.48,;23.42,-13.47,;24.19,-14.8,;25.73,-14.79,;26.5,-13.45,;28.04,-13.44,;28.8,-12.1,;28.02,-10.77,;28.78,-9.43,;26.48,-10.78,;25.72,-12.12,;23.43,-16.13,;21.89,-16.14,)|
Cn1c2ccsc2cc1C(=O)Nc3ccc(cc3)COc4ccc(cc4)OC5CCN(CC5)C
Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC2CCCNCC2)cc1
Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC2CCNC2)cc1
Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OCC2CCNCC2)cc1
CN1CCC(CC1)Oc1cccc(OCc2ccccc2NC(=O)c2cc3sccc3n2C)c1
Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccncc1
Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(C[C@H]2CCNC2)cc1 |r|
Cn1c2ccsc2cc1C(=O)Nc3ccccc3COc4ccc(cc4)OC[C@@H]5CCNC5
Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(CNC(N)=N)cc1
COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC2CCNCC2)cc1
Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC2CCN(Cc3ccccc3)CC2)cc1
CC(C)OCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC2CCNCC2)cc1
[H][C@@]1(CC[C@H](N)CC1)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:9.9,wD:11.13,4.4,1.0,(-4.65,6.17,;-4.67,5.14,;-4.65,3.62,;-5.99,2.87,;-7.32,3.66,;-8.39,3.05,;-7.3,5.2,;-5.95,5.95,;-3.34,4.36,;-3.36,2.83,;-4.13,1.49,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)|
Cn1c(cc2sccc12)C(=O)Nc1cccc(CN2CCOCC2)c1COc1ccc(OC2CCNCC2)cc1
[H][C@]12CC[C@]([H])(CC(C1)Oc1ccc(OCc3ccccc3NC(=O)c3cc4sccc4n3C)cc1)N2 |r|
Cn1c(cc2sccc12)C(=O)Nc1ccc(OCc2ccncc2)cc1
Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC2CCNCC2)cc1
Cn1c2ccsc2cc1C(=O)Nc3ccccc3COc4ccc(cc4)OC5CCN(CC5)C
CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC2CCNCC2)cc1
Cn1c(cc2sccc12)C(=O)Nc1ccccc1OCc1ccncc1
CN1CCN(Cc2ccc(OCc3ccccc3NC(=O)c3cc4sccc4n3C)cc2)CC1
CCn1c2ccsc2cc1C(=O)Nc3cccc(c3COc4ccc(cc4)OC[C@@H]5CCNC5)COC
Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OCC2CNC2)cc1
COCc1ccccc1NC(=O)c1cc2sccc2n1C
Cn1c(cc2sccc12)C(=O)Nc1ccccc1C(=O)Nc1ccc(OC2CCNCC2)cc1
COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@@H]2CCNC2)cc1 |r|
Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(NC2CCNCC2)cc1
COc1ccccc1NC(=O)c1cc2sccc2n1C
Cn1c(cc2sccc12)C(=O)Nc1ccccc1OCC1CCN(CC2CCNCC2)CC1
Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(cc1)N1CCNCC1
CCN1CCC(CC1)Oc1ccc(OCc2ccccc2NC(=O)c2cc3sccc3n2C)cc1
COc1ccc(NC(=O)c2cc3sccc3n2C)cc1
CNCCCOc1ccc(OCc2ccccc2NC(=O)c2cc3sccc3n2C)cc1
Cn1c(cc2sccc12)C(=O)Nc1ccccc1CCc1ccc(OC2CCNCC2)cc1
Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OCC2CCNC2)cc1
CN1CCC(CC1)Oc1ccc(COc2ccccc2NC(=O)c2cc3sccc3n2C)cc1
CN1CCC(CC1)Oc1ccccc1OCc1ccccc1NC(=O)c1cc2sccc2n1C
COCc1ccc(NC(=O)c2cc3sccc3n2C)cc1
Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(cc1)[C@H]1CC[C@H](N)CC1 |r,wU:29.33,wD:26.29,(11.03,-6.99,;10.59,-8.47,;11.52,-9.7,;10.64,-10.96,;9.16,-10.51,;7.71,-11.02,;6.78,-9.79,;7.66,-8.52,;9.13,-8.97,;13.06,-9.66,;13.8,-8.32,;13.85,-10.98,;13.11,-12.33,;11.57,-12.36,;10.82,-13.71,;11.62,-15.03,;13.16,-15,;13.91,-13.65,;15.44,-13.62,;16.19,-12.27,;17.73,-12.24,;18.47,-10.89,;20.01,-10.86,;20.81,-12.18,;20.07,-13.53,;18.53,-13.56,;22.32,-12.14,;23.11,-13.45,;24.62,-13.42,;25.36,-12.09,;26.88,-12.06,;24.58,-10.79,;23.05,-10.81,)|
Cn1c(cc2sccc12)C(=O)Nc1ccc(COc2ccncc2)cc1
CC(=O)N1CCC(CC1)Oc1ccc(OCc2ccccc2NC(=O)c2cc3sccc3n2C)cc1
CCOCc1cccc(c1COc2ccc(cc2)OC[C@@H]3CCNC3)NC(=O)c4cc5c(n4C)ccs5
COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@H]2CCNC2)cc1 |r|