Compound Name

SMILES String

Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl

Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C

CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)[C@@H](c5ccccc5)OC

CC(C)c1cc(CNc2nc(Nc3cc([nH]n3)C3CC3)cc(n2)N2CCN(C)CC2)on1

CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(ccn3)Oc4ccc(c(c4)F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F

CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC

COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F

COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC

COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11|

CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3ncc(cn3)-c3cncnc3)c2)C1

CCS(=O)(=O)c1cccc(c1)-c1cc(C(=O)NC2CCN(C)CC2)c(C)c2[nH]c3ncc(C)cc3c12

COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC

OC(=O)C1(Cc2cccc(Nc3nccs3)n2)CCC(CC1)Oc1cccc(Cl)c1F |(6.1,3.85,;7.64,3.85,;8.41,5.18,;8.41,2.52,;9.18,3.85,;10.72,3.85,;11.49,5.18,;13.03,5.18,;13.8,3.85,;13.03,2.52,;13.8,1.18,;15.35,1.18,;16.25,-.06,;17.71,.41,;17.71,1.95,;16.25,2.43,;11.49,2.52,;7.08,1.75,;7.08,.21,;8.41,-.56,;9.75,.21,;9.75,1.75,;8.41,-2.1,;7.08,-2.87,;7.08,-4.41,;5.75,-5.18,;4.41,-4.41,;4.41,-2.87,;3.08,-2.1,;5.75,-2.1,;5.75,-.56,)|

CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl

COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OCC1C[C@H]2CN(C)C[C@H]2C1

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

C[C@H](c1ncc(s1)C(=O)Nc2cc(c(cn2)Cl)C(F)(F)F)NC(=O)c3c(c(ncn3)N)Cl

C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|

OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|

CC(C)S(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C

CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21

C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1

COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1

COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cc(O)ccc1C |(16.89,-42.99,;16.89,-41.45,;18.23,-40.68,;19.55,-41.45,;20.88,-40.68,;20.88,-39.14,;19.55,-38.38,;18.23,-39.15,;16.9,-38.38,;16.91,-36.84,;15.44,-36.35,;14.53,-37.6,;15.43,-38.85,;14.53,-40.09,;13.06,-39.61,;11.74,-40.37,;11.73,-41.91,;10.41,-39.61,;9.07,-40.38,;10.41,-38.07,;11.74,-37.29,;11.74,-35.75,;13.06,-38.07,;18.24,-36.06,;19.58,-36.83,;20.9,-36.05,;22.24,-36.81,;20.9,-34.51,;19.55,-33.75,;18.23,-34.53,;16.89,-33.77,)|

CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl

c1ccc(c(c1)NC(=O)c2cnc3n2cc(cc3)C4CCNCC4)Cl