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50 SMILES Strings for Autotaxin (mATX)

Compound NameSMILES String
BDBM103559 NS(=O)(=O)c1ccc(N2CCN(CC2)c2ccc(O)cc2)c(ON=O)c1
BDBM103560 COc1ccc(cc1CSCC(O)=O)C(=O)\C=C\c1ccc(ON=O)cc1
BDBM103561 NS(=O)(=O)c1ccc(Nc2nc(cs2)-c2ccc(O)c(O)c2)cc1
BDBM103563 CCN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)cc1 |t:9|
BDBM103564 COC(=O)C1=C(N)N(C2=C(C1c1ccc(OC)c(OC)c1)C(=O)CCC2)c1ccc(cc1)S(N)(=O)=O |c:4,8|
BDBM103565 C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](OC(=O)CCC(=O)NCCc4cnc[nH]4)C3CC[C@H]21 |r,c:6|
BDBM103566 Oc1ccc(CN=Nc2ccc(ON=O)cc2S(=O)(=O)Nc2ccc(Cl)cc2)cc1O |w:7.7|
BDBM103567 CN(C)P(=NC(=S)Nc1cccc(c1)S(N)(=O)=O)(N(C)C)c1ccncc1
BDBM103568 COc1cc(ccc1N=Nc1ccc2c(cc(c(N)c2c1O)S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(N=Nc2ccc3c(cc(c(N)c3c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c1 |w:9.10,34.36|
BDBM103571 Clc1ccc(\C=C2/SC(=NC2=O)N2CCNCC2)cc1Cl |c:8|
BDBM103572 OC(=O)CCCCN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1 |t:14|
BDBM103573 [O-]S(=O)(=O)CCCCN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1 |t:15|
BDBM103574 OB(O)c1ccccc1CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1 |t:18|
BDBM103575 OB(O)c1cccc(CN2CCN(CC2)C2=NC(=O)\C(S2)=C\c2ccc(Cl)c(Cl)c2)c1 |t:16|
BDBM103576 OB(O)c1ccc(CN2CCN(CC2)C2=NC(=O)\C(S2)=C\c2ccc(Cl)c(Cl)c2)cc1 |t:15|
BDBM103577 OC(=O)c1ccc(CN2CCN(CC2)C2=NC(=O)\C(S2)=C\c2ccc(Cl)c(Cl)c2)cc1 |t:15|
BDBM103578 OC(=O)CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1 |t:11|
BDBM103579 OC(=O)CCCN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1 |t:13|
BDBM103580 [O-]S(=O)(=O)CCCN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1 |t:14|
BDBM103581 Clc1ccc(\C=C2/SC(=NC2=O)N2CCN(Cc3ccccc3)CC2)cc1Cl |c:8|
BDBM103582 Clc1ccc(\C=C2/SC(=NC2=O)N2CCN(Cc3ccccn3)CC2)cc1Cl |c:8|
BDBM103583 Clc1ccc(\C=C2/SC(=NC2=O)N2CCN(Cc3cccnc3)CC2)cc1Cl |c:8|
BDBM103584 Clc1ccc(\C=C2/SC(=NC2=O)N2CCN(Cc3ccncc3)CC2)cc1Cl |c:8|
BDBM103585 Clc1ccc(\C=C2/SC(=NC2=O)N2CCN(CCCc3ccccn3)CC2)cc1Cl |c:8|
BDBM103902 COc1cc(ccc1OCC(C)(C)O)-n1ccc(COc2ccccn2)cc1=O
BDBM103903 COc1ccc(\C=C2/SC(=NC2=O)N2CCN(C)CC2)cc1OC |c:9|
BDBM103964 CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(F)cc1 |t:8|
BDBM103965 CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccccc1Cl |t:8|
BDBM103966 CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1cccc(Cl)c1 |t:8|
BDBM103968 CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Br)cc1 |t:8|
BDBM103969 CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(I)cc1 |t:8|
BDBM103970 CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(C)cc1 |t:8|
BDBM103971 CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:8|
BDBM103972 CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(cc1)C(F)(F)F |t:8|
BDBM103973 CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(F)c(F)c1 |t:8|
BDBM103974 CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)cc1Cl |t:8|
BDBM103976 CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1cc(Cl)cc(Cl)c1 |t:8|
BDBM103977 CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1c(Cl)cccc1Cl |t:8|
BDBM103978 CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Br)c(Br)c1 |t:8|
BDBM103979 CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1cc(Br)cc(Br)c1 |t:8|
BDBM103980 CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1cc(cc(c1)C(C)(C)C)C(C)(C)C |t:8|
BDBM103958 NS(=O)(=O)c1cc(ON=O)c(s1)N1CCNCC1
BDBM103956 NS(=O)(=O)c1cc(ccc1Cl)C(=O)OCc1ncc(o1)-c1ccc(F)cc1
BDBM103957 Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCN(CC1)C(=O)NCCCn1ccnc1
BDBM103960 Cc1nc2ccccn2c(=O)c1Cc1ccc(Cl)cc1
BDBM103959 CCCCCCCN=Cc1c(O)n(-c2ccc(F)cc2)c(=O)[nH]c1=O |w:8.8|
BDBM103963 CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccccc1 |t:8|
BDBM103961 CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1 |t:8|
BDBM103962 [#7]S(=O)(=O)c1ccc(cc1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1
BDBM50187686 CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1