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33 SMILES Strings for ABL1(Q252H)

Compound NameSMILES String
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM4779 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
BDBM4814 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
BDBM5446 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
BDBM6568 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
BDBM6866 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
BDBM13216 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
BDBM13530 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
BDBM13533 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM13534 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM15244 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
BDBM16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM25118 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
BDBM31085 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM31088 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
BDBM31090 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM68207 Cc1ccc(Cl)cc1Nc1nccc(n1)-c1cccnc1
BDBM68208 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nccc(n1)-c1cccnc1
BDBM68209 CN(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
BDBM68211 FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ccc34)cc2)c1
BDBM68212 FC(F)(F)c1cccc(CC(=O)Nc2ccc(Oc3ncnc4[nH]ccc34)cc2)c1
BDBM68213 O=C(Nc1ccc(cc1)N1CCOCC1)c1cc2cnc3[nH]ccc3c2s1
BDBM68214 Cc1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1NC(=O)c1cc2cnc3[nH]ccc3c2s1
BDBM68216 CN(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(NC(=O)c2cc3cnc4[nH]ccc4c3s2)c(C)c1
BDBM68217 CC(O)c1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-1.06,-4.07,;-1.06,-2.53,;-2.39,-1.76,;.28,-1.76,;1.61,-2.53,;2.94,-1.76,;2.94,-.22,;1.61,.55,;1.61,2.09,;2.94,2.86,;2.94,4.4,;4.28,5.17,;5.61,4.4,;6.94,5.17,;8.28,4.4,;9.61,5.17,;9.61,6.71,;8.28,7.48,;10.94,7.48,;12.28,6.71,;12.28,5.17,;10.94,4.4,;10.94,2.86,;8.28,2.86,;9.61,2.09,;6.94,2.09,;6.94,.55,;5.61,2.86,;4.28,2.09,;.28,-.22,)|
BDBM68218 CC(O)c1cccc(Nc2ncc3cc(-c4cc(NC(=O)c5cccc(c5)C(F)(F)F)ccc4Cl)c(=O)n(C)c3n2)c1
BDBM68219 CC(O)c1cccc(Nc2ncc3cc(-c4cc(ccc4Cl)N(C)C(=O)c4cccc(c4)C(F)(F)F)c(=O)n(C)c3n2)c1
BDBM68220 CN(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(C)c(c1)N1Cc2cnc(N)nc2N(C)C1=O
BDBM68210 O=N(=O)c1ccc(Oc2ncnc3[nH]ccc23)cc1
BDBM50242740 CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
BDBM31096 CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13