99 SMILES Strings for Tyrosine-protein kinase ABL1 [T315I]

Compound Name
SMILES String
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
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
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
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
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
COc1ccccc1-c1c[nH]c2ncc(cc12)-c1cncc(c1)C(=O)N(C)C
COc1ccccc1-c1c[nH]c2ncc(cc12)-c1cccc(c1)C(=O)N(C)C
COc1ccccc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(C)=O)c1
Cc1ccc2[nH]ncc2c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12
CP(C)(=O)c1ccc(Nc2ncnc3n(\C=C\c4cccc5[nH]ncc45)cnc23)cc1
Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12
CP(C)(=O)c1ccc(Nc2ncnc3n(\C=C\c4cccc5[nH]ccc45)cnc23)cc1
Cc1nc(cc(n1)N1CCN(CCO)CC1)N=C1NCC(S1)C(=O)Nc1c(C)cccc1Cl |w:16.17|
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(\C=C\n3cnc4c(NC5CC5)ncnc34)c2)cc(c1)C(F)(F)F
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(\C=C\n3cnc4cncnc34)c2)cc(c1)C(F)(F)F
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4[nH]ccc4n3)cc2C(F)(F)F)CC1
CNc1nc2cc(ccn2n1)C#Cc1cc(ccc1C)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F
CN(C)c1nc2cc(ccn2n1)C#Cc1cc(ccc1C)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cn(C)c(n3)-c3ncc([nH]3)C(F)(F)F)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3ccc(nc3)-c3ncc([nH]3)C(F)(F)F)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3ccc(nc3)-c3ncc[nH]3)cc2C(F)(F)F)CC1
Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4ccccn34)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cn3cnc4ccccc34)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4cc(ccn34)C(O)=O)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4cc(ccn34)C(N)=O)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4cccnn34)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4cc(cnn34)C(O)=O)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cn3cnc4cc(ccc34)C(O)=O)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(F)c(c3)C#Cc3nnc4ccccn34)cc2C(F)(F)F)CC1
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(c3)C(F)(F)F)cc2)ccn1
CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccncc4)cc3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5ncncc5c4)cc3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Nc4ccc5ncccc5c4)cc3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5ncccc5c4)cc3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5cccnc5c4)cc3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)cc2C(F)(F)F)CC1
Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C4CCN(CC4)C(=O)C=C)c4ncnc(N)c34)cc2C(F)(F)F)CC1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C#Cc1cnc2c(Nc3cnn(C)c3)nccn12
Cc1ccc(cc1C#Cc1cnc2c(Nc3cnn(C)c3)nccn12)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1C#Cc1cnc2c(Nc3cnn(C)c3)nccn12
Cc1cn(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(c1)C#Cc1cnc2c(Nc3cnn(C)c3)nccn12
CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cnc3c(Nc4cnn(C)c4)nccn23)CC1
Cc1ccc(NC(=O)c2cc(on2)C(C)(C)C)cc1C#Cc1cnc2c(Nc3cnn(C)c3)nccn12
COCCn1cc(Nc2nccn3c(cnc23)C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1
COCCn1cc(Nc2nccn3c(cnc23)C#Cc2cc(NC(=O)c3ccnc(c3)C(F)(F)F)ccc2C)cn1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C#Cc1cnc2c(Nc3cnn(C)c3)ccnn12
Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1cnc2c(Nc3cnn(C)c3)ccnn12
Cc1ccc(cc1C#Cc1cnc2c(Nc3cnn(C)c3)ccnn12)C(=O)Nc1cccc(c1)C(F)(F)F
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4c(Nc5cnn(C)c5)ccnn34)cc2C(F)(F)F)CC1
CCc1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)nccn12
CCc1nc(C#Cc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)c2c(N)nccn12
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nc(C)n4ccnc(N)c34)cc2C(F)(F)F)CC1
CC(C)c1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)nccn12
CCn1cc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
CCn1cc(C#Cc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
CCn1cc(C#Cc2cc(ccc2C)C(=O)Nc2cccc(n2)C(F)(F)F)c2c(N)ncnc12
CCn1cc(C#Cc2cccc(c2)C(=O)Nc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
CCn1cc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN(C)C)c(c2)C(F)(F)F)c2c(N)ncnc12
CCn1cc(C#Cc2cc(ccc2C)C(=O)Nc2cc(cc(c2)C(F)(F)F)-n2cnc(C)c2)c2c(N)ncnc12
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(c2)C#Cc2cn(C)c3ncnc(N)c23)cc(c1)C(F)(F)F
CC(C)n1cc(C#Cc2cc(ccc2C)C(=O)Nc2cc(cc(c2)C(F)(F)F)-n2cnc(C)c2)c2c(N)ncnc12
CC(C)n1cc(C#Cc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
Cc1ccc(cc1C#Cc1cn(C)c2ncnc(N)c12)C(=O)Nc1cccc(c1)C(F)(F)F
CC(C)n1cc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cn(C)c4ncnc(N)c34)cc2C(F)(F)F)CC1
CCn1cc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
CCn1cc(C#Cc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)c(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cn(C)c3ncnc(N)c23)CC1
Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1cn(C2CCCC2)c2ncnc(N)c12
CCn1cc(C#Cc2cc(NC(=O)c3cc(cc(c3)C(F)(F)F)-n3cnc(C)c3)ccc2C)c2c(N)ncnc12
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cn([C@H]4CC[C@H](O)CC4)c4ncnc(N)c34)cc2C(F)(F)F)CC1 |r,wU:25.25,wD:28.29,(10.32,10.28,;9.55,8.95,;10.32,7.62,;9.55,6.28,;8.01,6.28,;7.24,4.95,;5.7,4.95,;4.93,6.28,;3.39,6.28,;2.62,4.95,;1.08,4.95,;.31,3.61,;1.08,2.28,;-1.23,3.61,;-2,4.95,;-3.54,4.95,;-4.31,3.61,;-5.85,3.61,;-3.54,2.28,;-2,2.28,;-4.31,.95,;-5.08,-.39,;-5.85,-1.72,;-5.23,-3.13,;-6.37,-4.16,;-6.21,-5.69,;-4.81,-6.31,;-4.65,-7.85,;-5.89,-8.75,;-5.73,-10.28,;-7.3,-8.12,;-7.46,-6.59,;-7.71,-3.39,;-9.17,-3.86,;-10.32,-2.83,;-10,-1.32,;-8.53,-.85,;-8.21,.66,;-7.39,-1.88,;3.39,3.61,;4.95,3.57,;5.72,2.23,;6.49,.9,;7.06,3,;4.39,1.46,;7.24,7.62,;8.01,8.95,)|
Cc1ccc(cc1C#Cc1cn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12)C(=O)Nc1cccc(c1)C(F)(F)F |r,wU:12.12,wD:15.16,(-4.21,5.61,;-2.67,5.61,;-1.9,6.95,;-.36,6.95,;.41,5.61,;-.36,4.28,;-1.9,4.28,;-2.67,2.95,;-3.44,1.61,;-4.21,.28,;-3.59,-1.13,;-4.73,-2.16,;-4.57,-3.69,;-3.16,-4.31,;-3,-5.85,;-4.25,-6.75,;-4.09,-8.28,;-5.65,-6.12,;-5.82,-4.59,;-6.06,-1.39,;-7.53,-1.86,;-8.67,-.83,;-8.35,.68,;-6.89,1.15,;-6.57,2.66,;-5.74,.12,;1.95,5.61,;2.72,4.28,;2.72,6.95,;4.26,6.95,;5.03,8.28,;6.57,8.28,;7.34,6.95,;6.6,5.57,;5.03,5.61,;7.37,4.23,;8.14,2.9,;6.03,3.46,;8.7,5,)|
Cc1ccc(cc1C#Cc1cn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12)C(=O)Nc1ccc(C)c(c1)C(F)(F)F |r,wU:12.12,wD:15.16,(-4.31,5.61,;-2.77,5.61,;-2,6.95,;-.46,6.95,;.31,5.61,;-.46,4.28,;-2,4.28,;-2.77,2.95,;-3.54,1.61,;-4.31,.28,;-3.69,-1.13,;-4.83,-2.16,;-4.67,-3.69,;-3.27,-4.31,;-3.11,-5.85,;-4.35,-6.75,;-4.19,-8.28,;-5.76,-6.12,;-5.92,-4.59,;-6.17,-1.39,;-7.63,-1.86,;-8.78,-.83,;-8.46,.68,;-6.99,1.15,;-6.67,2.66,;-5.85,.12,;1.85,5.61,;2.62,4.28,;2.62,6.95,;4.16,6.95,;4.93,8.28,;6.47,8.28,;7.24,6.95,;8.78,6.95,;6.49,5.57,;4.93,5.61,;7.26,4.23,;8.03,2.9,;8.6,5,;5.93,3.46,)|
CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cn([C@H]3CC[C@H](O)CC3)c3ncnc(N)c23)CC1 |r,wU:31.32,wD:34.36,(10.32,10.28,;9.55,8.95,;10.32,7.62,;9.55,6.28,;8.01,6.28,;7.24,4.95,;5.7,4.95,;4.93,6.28,;3.39,6.28,;2.62,4.95,;3.39,3.61,;4.95,3.57,;5.72,2.23,;6.49,.9,;7.06,3,;4.39,1.46,;1.08,4.95,;.31,6.28,;.31,3.61,;-1.23,3.61,;-2,4.95,;-3.54,4.95,;-4.31,3.61,;-5.85,3.61,;-3.54,2.28,;-2,2.28,;-4.31,.95,;-5.08,-.39,;-5.85,-1.72,;-5.23,-3.13,;-6.37,-4.16,;-6.21,-5.69,;-4.81,-6.31,;-4.65,-7.85,;-5.89,-8.75,;-5.73,-10.28,;-7.3,-8.12,;-7.46,-6.59,;-7.71,-3.39,;-9.17,-3.86,;-10.32,-2.83,;-10,-1.32,;-8.53,-.85,;-8.21,.66,;-7.39,-1.88,;7.24,7.62,;8.01,8.95,)|
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)nccc2Br)cc(n1)N1CCN(CCO)CC1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cncc2Cl)cc(n1)N1CCN(CCO)CC1
Cc1csc(Cl)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)nccc2Cl)cc(n1)N1CCN(CCO)CC1