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47 SMILES Strings for IRE1α

Compound NameSMILES String
BDBM16018 O=C1c2ccccc2-c2n[nH]c3cccc1c23
BDBM25919 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
BDBM50130725 Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl |t:6|
BDBM50175688 O=C(N1CCC(CC1)N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
BDBM50242742 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50334594 CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl
BDBM50389803 NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1 |r|
BDBM50436850 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50062357 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N(C)C
BDBM185149 CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1
BDBM192725 CC1(CC1)c1nc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2F)c2c(N)nccn12
BDBM192755 CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1
BDBM192738 CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4nc(n5ccnc(N)c45)C4(C)CC4)c4ccccc34)cc2C(F)(F)F)CC1
BDBM192737 CNS(=O)(=O)c1cccc(NC(=O)Nc2ccc(-c3nc(n4ccnc(N)c34)C3(C)CC3)c3ccccc23)c1
BDBM192719 CC(C)c1nc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)c3ccccc23)c2c(N)nccn12
BDBM192720 CC(C)(C)c1nc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)c3ccccc23)c2c(N)nccn12
BDBM192721 CC1(CC1)c1nc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)c3ccccc23)c2c(N)nccn12
BDBM192739 CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4nc(n5ccnc(N)c45)C4(C)CC4)c4ccccc34)cc2)CC1
BDBM192722 Nc1nccn2c(nc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c4ccccc34)c12)C1CCC1
BDBM192723 Nc1nccn2c(nc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c4ccccc34)c12)C1CC1
BDBM192724 CC1(COC1)c1nc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)c3ccccc23)c2c(N)nccn12
BDBM192727 CC1(CC1)c1nc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2Cl)c2c(N)nccn12
BDBM192728 Cc1c(C)c(ccc1NC(=O)Nc1cccc(c1)C(F)(F)F)-c1nc(n2ccnc(N)c12)C1(C)CC1
BDBM192729 CC1(CC1)c1nc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)c(F)c2F)c2c(N)nccn12
BDBM192730 CC1(CC1)c1nc(-c2ccc(NC(=O)Nc3ccccc3)c3ccccc23)c2c(N)nccn12
BDBM192731 CC1(CC1)c1nc(-c2ccc(NC(=O)Nc3cccc(F)c3)c3ccccc23)c2c(N)nccn12
BDBM192741 CC1(CC1)c1nc(-c2ccc(NC(=O)NCc3ccccc3)c3ccccc23)c2c(N)nccn12
BDBM192740 Cc1cc(NC(=O)Nc2ccc(-c3nc(n4ccnc(N)c34)C3(C)CC3)c3ccccc23)n[nH]1
BDBM192732 Cc1cccc(NC(=O)Nc2ccc(-c3nc(n4ccnc(N)c34)C3(C)CC3)c3ccccc23)c1
BDBM192733 COc1cccc(NC(=O)Nc2ccc(-c3nc(n4ccnc(N)c34)C3(C)CC3)c3ccccc23)c1
BDBM192734 CSc1cccc(NC(=O)Nc2ccc(-c3nc(n4ccnc(N)c34)C3(C)CC3)c3ccccc23)c1
BDBM192735 COc1cc(NC(=O)Nc2ccc(-c3nc(n4ccnc(N)c34)C3(C)CC3)c3ccccc23)cc(c1)C(F)(F)F
BDBM192736 CC1(CC1)c1nc(-c2ccc(NC(=O)Nc3cc(F)cc(c3)C(F)(F)F)c3ccccc23)c2c(N)nccn12
BDBM192742 CC1(CC1)c1nc(-c2ccc(NC(=O)NCCc3ccccc3)c3ccccc23)c2c(N)nccn12
BDBM192743 CC1(CC1)c1nc(-c2ccc(NC(=O)NC3CCCCC3)c3ccccc23)c2c(N)nccn12
BDBM192744 CC1(CC1)c1nc(-c2ccc(NC(=O)N3CCOCC3)c3ccccc23)c2c(N)nccn12
BDBM192745 CC1(CC1)c1nc(-c2ccc(NC(=O)N3CCCCC3)c3ccccc23)c2c(N)nccn12
BDBM192746 CC1(CC1)c1nc(-c2ccc(NC(=O)NC3CC3)c3ccccc23)c2c(N)nccn12
BDBM192747 CN(C(=O)Nc1ccc(-c2nc(n3ccnc(N)c23)C2(C)CC2)c2ccccc12)c1cccc(c1)C(F)(F)F
BDBM192748 CC(C)(C)c1nc(-c2ccc(NC(=O)N3CCN(C3=O)c3cccc(c3)C(F)(F)F)c3ccccc23)c2c(N)nccn12
BDBM192749 CC1(CC1)c1nc(-c2ccc(NC(=O)OCCc3ccccc3)c3ccccc23)c2c(N)nccn12
BDBM192750 CC1(CC1)c1nc(-c2ccc(NC(=O)OCC(=O)c3ccccc3)c3ccccc23)c2c(N)nccn12
BDBM192751 O=C(NC1CC1)Nc1cc(n[nH]1)-c1nc2ccc(CN3CCOCC3)cc2[nH]1
BDBM192752 COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12)N1CCC(N)CC1
BDBM192753 CCS(=O)(=O)Nc1ccc2NC(=O)\C(=C(/Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)c2c1
BDBM192754 N[C@H]1CCCCC1Nc1ncc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r|
BDBM60931 Cc1cc(NC(=O)Nc2cccc(c2)C(F)(F)F)ccc1-c1nc(n2ccnc(N)c12)C1(C)CC1