3-amino-N-[(6S)-2-[(9S)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(9R)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9S)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate

C221H275F3N44O42S7 — CID 159303077

IUPAC3-amino-N-[(6S)-2-[(9S)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(9R)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9S)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate
SMILESCC(C)(C)OC(=O)NC1CN(c2ccc3c(n2)CC[C@H](N)C3)CC12OCCO2.CC(C)(C)OC(=O)NC1CN(c2ccc3c(n2)CC[C@H](NC(=O)OCc2ccccc2)C3)CC12OCCO2.CC(C)(C)OC(=O)N[C@@H]1CNCC12OCCO2.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5CC(NC(=O)OC(C)(C)C)C6(C5)OCCO6)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@@H](N)C6(C5)OCCO6)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@@H](NC(=O)OC(C)(C)C)C6(C5)OCCO6)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@H](N)C6(C5)OCCO6)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@H](NC(=O)OC(C)(C)C)C6(C5)OCCO6)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1.O=C(N[C@H]1CCc2nc(OS(=O)(=O)C(F)(F)F)ccc2C1)OCc1ccccc1
InChIInChI=1S/3C29H36N6O5S.C28H36N4O6.2C24H28N6O3S.C20H30N4O4.C18H17F3N2O5S.C11H20N2O4.C9H8N2O2S/c3*1-16-5-8-19-23(30)24(41-26(19)31-16)25(36)32-18-7-9-20-17(13-18)6-10-22(33-20)35-14-21(29(15-35)38-11-12-39-29)34-27(37)40-28(2,3)4;1-27(2,3)38-26(34)31-23-16-32(18-28(23)36-13-14-37-28)24-12-9-20-15-21(10-11-22(20)30-24)29-25(33)35-17-19-7-5-4-6-8-19;2*1-13-2-5-16-20(26)21(34-23(16)27-13)22(31)28-15-4-6-17-14(10-15)3-7-19(29-17)30-11-18(25)24(12-30)32-8-9-33-24;1-19(2,3)28-18(25)23-16-11-24(12-20(16)26-8-9-27-20)17-7-4-13-10-14(21)5-6-15(13)22-17;19-18(20,21)29(25,26)28-16-9-6-13-10-14(7-8-15(13)23-16)22-17(24)27-11-12-4-2-1-3-5-12;1-10(2,3)17-9(14)13-8-6-12-7-11(8)15-4-5-16-11;1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h3*5-6,8,10,18,21H,7,9,11-15,30H2,1-4H3,(H,32,36)(H,34,37);4-9,12,21,23H,10-11,13-18H2,1-3H3,(H,29,33)(H,31,34);2*2-3,5,7,15,18H,4,6,8-12,25-26H2,1H3,(H,28,31);4,7,14,16H,5-6,8-12,21H2,1-3H3,(H,23,25);1-6,9,14H,7-8,10-11H2,(H,22,24);8,12H,4-7H2,1-3H3,(H,13,14);2-3H,10H2,1H3,(H,12,13)/t18-,21?;18-,21+;18-,21-;21-,23?;15-,18+;15-,18-;14-,16?;14-;8-;/m000000001./s1
InChIKeyLBOPURSRTQXKPZ-HNSWZGQTSA-N
MW4501.36 g/mol
LogP23.38
Rot. Bonds32

About 3-amino-N-[(6S)-2-[(9S)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(9R)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9S)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate

3-amino-N-[(6S)-2-[(9S)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(9R)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9S)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate (PubChem CID 159303077) has the molecular formula C221H275F3N44O42S7 and a molecular weight of 4501.36 g/mol. Its IUPAC name is 3-amino-N-[(6S)-2-[(9S)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(9R)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9S)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name3-amino-N-[(6S)-2-[(9S)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(9R)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9S)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate
PubChem CID159303077
Molecular FormulaC221H275F3N44O42S7
Molecular Weight4501.36 g/mol
Exact Mass4497.87
IUPAC Name3-amino-N-[(6S)-2-[(9S)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(9R)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9S)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate
SMILESCC(C)(C)OC(=O)NC1CN(c2ccc3c(n2)CC[C@H](N)C3)CC12OCCO2.CC(C)(C)OC(=O)NC1CN(c2ccc3c(n2)CC[C@H](NC(=O)OCc2ccccc2)C3)CC12OCCO2.CC(C)(C)OC(=O)N[C@@H]1CNCC12OCCO2.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5CC(NC(=O)OC(C)(C)C)C6(C5)OCCO6)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@@H](N)C6(C5)OCCO6)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@@H](NC(=O)OC(C)(C)C)C6(C5)OCCO6)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@H](N)C6(C5)OCCO6)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@H](NC(=O)OC(C)(C)C)C6(C5)OCCO6)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1.O=C(N[C@H]1CCc2nc(OS(=O)(=O)C(F)(F)F)ccc2C1)OCc1ccccc1
InChIInChI=1S/3C29H36N6O5S.C28H36N4O6.2C24H28N6O3S.C20H30N4O4.C18H17F3N2O5S.C11H20N2O4.C9H8N2O2S/c3*1-16-5-8-19-23(30)24(41-26(19)31-16)25(36)32-18-7-9-20-17(13-18)6-10-22(33-20)35-14-21(29(15-35)38-11-12-39-29)34-27(37)40-28(2,3)4;1-27(2,3)38-26(34)31-23-16-32(18-28(23)36-13-14-37-28)24-12-9-20-15-21(10-11-22(20)30-24)29-25(33)35-17-19-7-5-4-6-8-19;2*1-13-2-5-16-20(26)21(34-23(16)27-13)22(31)28-15-4-6-17-14(10-15)3-7-19(29-17)30-11-18(25)24(12-30)32-8-9-33-24;1-19(2,3)28-18(25)23-16-11-24(12-20(16)26-8-9-27-20)17-7-4-13-10-14(21)5-6-15(13)22-17;19-18(20,21)29(25,26)28-16-9-6-13-10-14(7-8-15(13)23-16)22-17(24)27-11-12-4-2-1-3-5-12;1-10(2,3)17-9(14)13-8-6-12-7-11(8)15-4-5-16-11;1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h3*5-6,8,10,18,21H,7,9,11-15,30H2,1-4H3,(H,32,36)(H,34,37);4-9,12,21,23H,10-11,13-18H2,1-3H3,(H,29,33)(H,31,34);2*2-3,5,7,15,18H,4,6,8-12,25-26H2,1H3,(H,28,31);4,7,14,16H,5-6,8-12,21H2,1-3H3,(H,23,25);1-6,9,14H,7-8,10-11H2,(H,22,24);8,12H,4-7H2,1-3H3,(H,13,14);2-3H,10H2,1H3,(H,12,13)/t18-,21?;18-,21+;18-,21-;21-,23?;15-,18+;15-,18-;14-,16?;14-;8-;/m000000001./s1
InChIKeyLBOPURSRTQXKPZ-HNSWZGQTSA-N
XLogP23.38
TPSA1129.84 Ų
H-Bond Donors24
H-Bond Acceptors78
Rotatable Bonds32
Heavy Atoms317
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004501.36
LogP ≤ 523.38
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1078

Analyze 3-amino-N-[(6S)-2-[(9S)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(9R)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9S)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate with MolForge

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What is the IUPAC name of 3-amino-N-[(6S)-2-[(9S)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(9R)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9S)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate?
The IUPAC name of 3-amino-N-[(6S)-2-[(9S)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(9R)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9S)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate (CID 159303077) is 3-amino-N-[(6S)-2-[(9S)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(9R)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9S)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate.
What is the SMILES notation for 3-amino-N-[(6S)-2-[(9S)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(9R)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9S)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate?
The canonical SMILES for 3-amino-N-[(6S)-2-[(9S)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(9R)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9S)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate is CC(C)(C)OC(=O)NC1CN(c2ccc3c(n2)CC[C@H](N)C3)CC12OCCO2.CC(C)(C)OC(=O)NC1CN(c2ccc3c(n2)CC[C@H](NC(=O)OCc2ccccc2)C3)CC12OCCO2.CC(C)(C)OC(=O)N[C@@H]1CNCC12OCCO2.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5CC(NC(=O)OC(C)(C)C)C6(C5)OCCO6)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@@H](N)C6(C5)OCCO6)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@@H](NC(=O)OC(C)(C)C)C6(C5)OCCO6)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@H](N)C6(C5)OCCO6)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@H](NC(=O)OC(C)(C)C)C6(C5)OCCO6)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1.O=C(N[C@H]1CCc2nc(OS(=O)(=O)C(F)(F)F)ccc2C1)OCc1ccccc1.
What is the InChIKey of 3-amino-N-[(6S)-2-[(9S)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(9R)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9S)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate?
The InChIKey is LBOPURSRTQXKPZ-HNSWZGQTSA-N. The full InChI is InChI=1S/3C29H36N6O5S.C28H36N4O6.2C24H28N6O3S.C20H30N4O4.C18H17F3N2O5S.C11H20N2O4.C9H8N2O2S/c3*1-16-5-8-19-23(30)24(41-26(19)31-16)25(36)32-18-7-9-20-17(13-18)6-10-22(33-20)35-14-21(29(15-35)38-11-12-39-29)34-27(37)40-28(2,3)4;1-27(2,3)38-26(34)31-23-16-32(18-28(23)36-13-14-37-28)24-12-9-20-15-21(10-11-22(20)30-24)29-25(33)35-17-19-7-5-4-6-8-19;2*1-13-2-5-16-20(26)21(34-23(16)27-13)22(31)28-15-4-6-17-14(10-15)3-7-19(29-17)30-11-18(25)24(12-30)32-8-9-33-24;1-19(2,3)28-18(25)23-16-11-24(12-20(16)26-8-9-27-20)17-7-4-13-10-14(21)5-6-15(13)22-17;19-18(20,21)29(25,26)28-16-9-6-13-10-14(7-8-15(13)23-16)22-17(24)27-11-12-4-2-1-3-5-12;1-10(2,3)17-9(14)13-8-6-12-7-11(8)15-4-5-16-11;1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h3*5-6,8,10,18,21H,7,9,11-15,30H2,1-4H3,(H,32,36)(H,34,37);4-9,12,21,23H,10-11,13-18H2,1-3H3,(H,29,33)(H,31,34);2*2-3,5,7,15,18H,4,6,8-12,25-26H2,1H3,(H,28,31);4,7,14,16H,5-6,8-12,21H2,1-3H3,(H,23,25);1-6,9,14H,7-8,10-11H2,(H,22,24);8,12H,4-7H2,1-3H3,(H,13,14);2-3H,10H2,1H3,(H,12,13)/t18-,21?;18-,21+;18-,21-;21-,23?;15-,18+;15-,18-;14-,16?;14-;8-;/m000000001./s1.
What are the key properties of 3-amino-N-[(6S)-2-[(9S)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(9R)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9S)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate?
3-amino-N-[(6S)-2-[(9S)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(9R)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9S)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate has a molecular weight of 4501.36 g/mol, XLogP of 23.38, 32 rotatable bonds, 24 hydrogen bond donors, and 78 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(6S)-2-[(9S)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(9R)-9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9S)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-7-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(9R)-1,4-dioxa-7-azaspiro[4.4]nonan-9-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate is sourced from PubChem (CID 159303077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).