112 SMILES Strings for Aurora kinase B/Inner centromere protein

Compound Name
SMILES String
CC(=O)c1ccc(OCc2cc(C)ccn2)c(c1)-c1ccc2CCNCCc2c1
CC(=O)c1ccc(OCc2ccccn2)c(c1)-c1ccc(C)cc1
CC(=O)c1ccc(OCc2ccccn2)c(c1)-c1ccc(F)cc1
CC(=O)c1ccc(OCc2ccccn2)c(c1)-c1ccc2CCCNCc2c1
CC(=O)c1ccc(OCc2ccccn2)c(c1)-c1ccc2CCNCCc2c1
CC(=O)c1ccc(OCc2ccccn2)c(c1)-c1ccc2CCNCc2c1
CC(=O)c1ccc(OCc2ccccn2)c(c1)-c1ccc2CNCCCc2c1
CC(=O)c1ccc(OCc2ccccn2)c(c1)-c1ccc2CNCCc2c1
CC(=O)c1ccc(OCc2ccccn2)c(c1)-c1ccc2CNCc2c1
CC(=O)c1ccc(OCc2ccccn2)c(c1)-c1cccc(C)c1
CC(=O)c1ccc(OCc2ccccn2)c(c1)-c1ccccc1
CC(=O)c1ccc(OCc2ccccn2)c(c1)-c1ccccc1C
CC1(C)CC(=O)C2=C(C1)Nc1n[nH]cc1C2c1cccc(Oc2nc3ccccc3[nH]2)c1 |c:6|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(OC)c5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:30|
CCOC(=O)c1[nH]cc2[C@@H](c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |r,t:28|
CCOc1ccnc(COc2ccc(cc2-c2ccc3CCNCCc3c2)C(C)=O)c1
CCS(=O)(=O)c1cccc(c1)-c1cc(C(=O)NC2CCN(C)CC2)c(C)c2[nH]c3ncc(C)cc3c12
CCc1[nH]cc2C(C3=C(CC(C)(C)CC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |t:7|
CCc1[nH]cc2C(C3=C(CC(C)(C)CC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)c1 |t:7|
CCc1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |t:7|
CCc1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)c1 |t:7|
CCc1[nH]cc2C(C3=C(CNCC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)c1 |t:7|
CCc1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |r,t:7|
CCc1[nH]cc2[C@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |r,t:7|
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(N)c2)C(=O)N1C
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CC(O)=O)c2)C(=O)N1C
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CCC(O)=O)c2)C(=O)N1C
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CCCC(O)=O)c2)C(=O)N1C
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CCN)c2)C(=O)N1C
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(CO)cc3)c2)C(=O)N1C
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cc3)-c3nnn[nH]3)c2)C(=O)N1C
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cc3)C(O)=O)c2)C(=O)N1C
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C
CCc1ccnc(COc2ccc(cc2-c2ccc3CCNCCc3c2)C(C)=O)c1
CCc1nc(N[C@H](CNC)c2cccc(F)c2)c2cccc(C(N)=O)c2n1 |r|
CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc2n1C1CCCC1
CN(C)Cc1ccc(cc1)-c1c[nH]c(=O)c(N)c1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
CNC(=O)c1ccc(OCc2cc(C)ccn2)c(c1)-c1ccc2CCNCCc2c1
CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(F)c1
CNC[C@@H](Nc1nc(C)nc2c(cccc12)C(N)=O)c1cccc(F)c1 |r|
CNC[C@@H](Nc1nc(nc2c(cccc12)C(N)=O)C(F)(F)F)c1cccc(F)c1 |r|
CNC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(F)c1 |r|
CNc1nccc(n1)-c1c[nH]c(=O)c(N)c1
COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11|
COc1cc(OC)cc(c1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
COc1ccc(OCc2cc(C)ccn2)c(c1)-c1ccc2CCNCCc2c1
COc1ccc(OCc2cnccn2)c(c1)-c1ccc2CCNCCc2c1
COc1ccc(c(OCc2cc(C)ccn2)c1)-c1ccc2CCNCCc2c1
COc1ccc(cc1)-c1c(C)cccc1OCc1ccccn1
COc1ccc(cc1)-c1c(F)cccc1OCc1ccccn1
COc1ccc(cc1)-c1c(OC)cccc1OCc1ccccn1
COc1ccc(cc1)-c1cc(C)ccc1OCc1ccccn1
COc1ccc(cc1)-c1cc(F)ccc1OCc1ccccn1
COc1ccc(cc1)-c1cc(OC)ccc1OCc1ccccn1
COc1ccc(cc1)-c1cc(ccc1OCc1ccccn1)C(C)=O
COc1ccc(cc1)-c1cc(ccc1OCc1cccnn1)C(C)=O
COc1ccc(cc1)-c1cc(ccc1OCc1ccncn1)C(C)=O
COc1ccc(cc1)-c1cc(ccc1OCc1cnccn1)C(C)=O
COc1ccc(cc1)-c1cc(ccc1OCc1ncccn1)C(C)=O
COc1ccc(cc1)-c1ccc(F)cc1OCc1ccccn1
COc1ccc(cc1)-c1ccc(OC)cc1OCc1ccccn1
COc1ccc(cc1)-c1ccccc1OCc1ccccn1
COc1ccc(cc1)-c1nc(C)ccc1OCc1cc(C)ccn1
COc1ccc(cc1)-c1nc(C)ccc1OCc1ccc(C)cn1
COc1ccc(cc1)-c1nc(C)ccc1OCc1cccc(C)n1
COc1ccc(cc1)-c1nc(C)ccc1OCc1ccccn1
COc1ccc(cc1)-c1nc(C)ccc1OCc1ncccc1C
COc1cccc(OCc2cc(C)ccn2)c1-c1ccc2CCNCCc2c1
COc1cccc(OCc2cnccn2)c1-c1ccc2CCNCCc2c1
COc1cccc(c1)-c1cc(ccc1OCc1ccccn1)C(C)=O
COc1cccc(c1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
COc1ncc(cc1N)-c1ccncc1
Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N
Cc1[nH]c(=O)c(cc1-c1ccncc1)C(N)=O
Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Cc1ccc(OCc2ccccn2)c(n1)-c1ccccc1
Cc1ccc(cc1)-c1ccccc1OCc1ccccn1
Cc1ccc(cc1)-c1ncccc1OCc1ccccn1
Cc1ccnc(COc2ccc(C)nc2-c2ccc3CCNCCc3c2)c1
Cc1ccnc(COc2ccc(cc2-c2ccc3CCNCCc3c2)C#N)c1
Cc1nc(O)c(N)cc1-c1ccncc1
Cn1cc(cc(N)c1=O)-c1ccncc1
Cn1cc(cn1)-c1c[nH]c(=O)c(N)c1
Fc1cc(F)cc(c1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Fc1cccc(c1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3ccc(Cl)c(F)c3)ncnc12 |r|
NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3ccc(Cl)c(c3)C(F)(F)F)ncnc12 |r|
NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3ccc(F)c(F)c3)ncnc12 |r|
NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3ccc(F)c(c3)C(F)(F)F)ncnc12 |r|
NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3ccc(F)cc3)ncnc12 |r|
NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3ccc(cc3)C(F)(F)F)ncnc12 |r|
NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3cccc(Cl)c3)ncnc12 |r|
NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3cccc(F)c3)ncnc12 |r|
NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3cccc(c3)C(F)(F)F)ncnc12 |r|
NC(=O)c1cccc2c(N[C@H](CN3CCCC3)c3cccc(F)c3)ncnc12 |r|
Nc1cc(c[nH]c1=O)-c1cccnc1
Nc1cc(c[nH]c1=O)-c1ccnc(NC2CC2)n1
Nc1cc(c[nH]c1=O)-c1ccnc2ccccc12
Nc1cc(c[nH]c1=O)-c1ccncc1
Nc1cc(c[nH]c1=O)-c1cncnc1
Nc1cc(cnc1O)-c1ccccc1
Nc1ccc(Cl)c(OCc2ccccn2)c1
Nc1ccc[nH]c1=O
O=C(Nc1cc(c[nH]c1=O)-c1ccnc(NC2CC2)n1)c1ccccc1
O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccc(cc1)N1CCCCC1
O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccccc1
O=C1CCCC2=C1C(c1c[nH]nc1N2)c1cccc(Oc2nc3ccccc3[nH]2)c1 |c:5|
O=C1CNCC2=C1C(c1c[nH]nc1N2)c1cccc(Oc2nc3ccccc3[nH]2)c1 |c:5|
O=c1[nH]cc(cc1NS(=O)(=O)c1ccccc1)-c1ccncc1
OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F |r,wU:3.2,wD:19.24,(2.4,1.65,;1.33,2.27,;1.34,3.5,;,1.54,;-1.33,2.27,;-2.67,1.5,;-2.64,-.04,;-3.96,-.84,;-5.31,-.09,;-5.34,1.45,;-6.69,2.19,;-8,1.39,;-8.11,-.13,;-9.61,-.48,;-10.41,.83,;-9.4,2,;-4.02,2.24,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;1.34,-3.85,;2.67,-3.07,;4.01,-3.84,;4.01,-5.38,;2.68,-6.15,;2.68,-7.39,;1.34,-5.39,;.28,-6.01,)|