bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;(3Z)-1,5-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)indol-2-one;(3Z)-5-methyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one

C135H161FN20O18S4 — CID 158108564

IUPACbis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;(3Z)-1,5-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)indol-2-one;(3Z)-5-methyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)CC)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(S(C)(=O)=O)cc32)c1-c1ccc(F)cc1.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(S(C)(=O)=O)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(S(C)(=O)=O)cc32)c1C.Cc1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2.Cc1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2C
InChIInChI=1S/C28H31FN4O4S.C24H32N4O4S.2C23H30N4O4S.C19H20N2O.C18H18N2O/c1-5-33(6-2)14-13-30-28(35)25-17(3)31-24(26(25)18-7-9-19(29)10-8-18)16-22-21-15-20(38(4,36)37)11-12-23(21)32-27(22)34;1-6-28(7-2)12-11-25-24(30)22-15(4)21(26-16(22)5)14-19-18-13-17(33(31,32)8-3)9-10-20(18)27-23(19)29;2*1-6-27(7-2)11-10-24-23(29)21-14(3)20(25-15(21)4)13-18-17-12-16(32(5,30)31)8-9-19(17)26-22(18)28;1-12-7-8-18-15(9-12)16(19(22)21(18)2)11-14-10-13-5-3-4-6-17(13)20-14;1-11-6-7-17-14(8-11)15(18(21)20-17)10-13-9-12-4-2-3-5-16(12)19-13/h7-12,15-16,31H,5-6,13-14H2,1-4H3,(H,30,35)(H,32,34);9-10,13-14,26H,6-8,11-12H2,1-5H3,(H,25,30)(H,27,29);2*8-9,12-13,25H,6-7,10-11H2,1-5H3,(H,24,29)(H,26,28);7-11,20H,3-6H2,1-2H3;6-10,19H,2-5H2,1H3,(H,20,21)/b22-16-;19-14-;2*18-13-;16-11-;15-10-
InChIKeyFQDHHZNLFOOYDH-YZRMCNHDSA-N
MW2499.16 g/mol
LogP19.70
Rot. Bonds36

About bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;(3Z)-1,5-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)indol-2-one;(3Z)-5-methyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one

bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;(3Z)-1,5-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)indol-2-one;(3Z)-5-methyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one (PubChem CID 158108564) has the molecular formula C135H161FN20O18S4 and a molecular weight of 2499.16 g/mol. Its IUPAC name is bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;(3Z)-1,5-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)indol-2-one;(3Z)-5-methyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Namebis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;(3Z)-1,5-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)indol-2-one;(3Z)-5-methyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
PubChem CID158108564
Molecular FormulaC135H161FN20O18S4
Molecular Weight2499.16 g/mol
Exact Mass2497.12
IUPAC Namebis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;(3Z)-1,5-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)indol-2-one;(3Z)-5-methyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)CC)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(S(C)(=O)=O)cc32)c1-c1ccc(F)cc1.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(S(C)(=O)=O)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(S(C)(=O)=O)cc32)c1C.Cc1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2.Cc1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2C
InChIInChI=1S/C28H31FN4O4S.C24H32N4O4S.2C23H30N4O4S.C19H20N2O.C18H18N2O/c1-5-33(6-2)14-13-30-28(35)25-17(3)31-24(26(25)18-7-9-19(29)10-8-18)16-22-21-15-20(38(4,36)37)11-12-23(21)32-27(22)34;1-6-28(7-2)12-11-25-24(30)22-15(4)21(26-16(22)5)14-19-18-13-17(33(31,32)8-3)9-10-20(18)27-23(19)29;2*1-6-27(7-2)11-10-24-23(29)21-14(3)20(25-15(21)4)13-18-17-12-16(32(5,30)31)8-9-19(17)26-22(18)28;1-12-7-8-18-15(9-12)16(19(22)21(18)2)11-14-10-13-5-3-4-6-17(13)20-14;1-11-6-7-17-14(8-11)15(18(21)20-17)10-13-9-12-4-2-3-5-16(12)19-13/h7-12,15-16,31H,5-6,13-14H2,1-4H3,(H,30,35)(H,32,34);9-10,13-14,26H,6-8,11-12H2,1-5H3,(H,25,30)(H,27,29);2*8-9,12-13,25H,6-7,10-11H2,1-5H3,(H,24,29)(H,26,28);7-11,20H,3-6H2,1-2H3;6-10,19H,2-5H2,1H3,(H,20,21)/b22-16-;19-14-;2*18-13-;16-11-;15-10-
InChIKeyFQDHHZNLFOOYDH-YZRMCNHDSA-N
XLogP19.70
TPSA526.47 Ų
H-Bond Donors15
H-Bond Acceptors22
Rotatable Bonds36
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002499.16
LogP ≤ 519.70
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;(3Z)-1,5-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)indol-2-one;(3Z)-5-methyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;(3Z)-1,5-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)indol-2-one;(3Z)-5-methyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;(3Z)-1,5-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)indol-2-one;(3Z)-5-methyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one (CID 158108564) is bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;(3Z)-1,5-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)indol-2-one;(3Z)-5-methyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;(3Z)-1,5-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)indol-2-one;(3Z)-5-methyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;(3Z)-1,5-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)indol-2-one;(3Z)-5-methyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one is CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)CC)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(S(C)(=O)=O)cc32)c1-c1ccc(F)cc1.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(S(C)(=O)=O)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(S(C)(=O)=O)cc32)c1C.Cc1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2.Cc1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2C.
What is the InChIKey of bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;(3Z)-1,5-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)indol-2-one;(3Z)-5-methyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is FQDHHZNLFOOYDH-YZRMCNHDSA-N. The full InChI is InChI=1S/C28H31FN4O4S.C24H32N4O4S.2C23H30N4O4S.C19H20N2O.C18H18N2O/c1-5-33(6-2)14-13-30-28(35)25-17(3)31-24(26(25)18-7-9-19(29)10-8-18)16-22-21-15-20(38(4,36)37)11-12-23(21)32-27(22)34;1-6-28(7-2)12-11-25-24(30)22-15(4)21(26-16(22)5)14-19-18-13-17(33(31,32)8-3)9-10-20(18)27-23(19)29;2*1-6-27(7-2)11-10-24-23(29)21-14(3)20(25-15(21)4)13-18-17-12-16(32(5,30)31)8-9-19(17)26-22(18)28;1-12-7-8-18-15(9-12)16(19(22)21(18)2)11-14-10-13-5-3-4-6-17(13)20-14;1-11-6-7-17-14(8-11)15(18(21)20-17)10-13-9-12-4-2-3-5-16(12)19-13/h7-12,15-16,31H,5-6,13-14H2,1-4H3,(H,30,35)(H,32,34);9-10,13-14,26H,6-8,11-12H2,1-5H3,(H,25,30)(H,27,29);2*8-9,12-13,25H,6-7,10-11H2,1-5H3,(H,24,29)(H,26,28);7-11,20H,3-6H2,1-2H3;6-10,19H,2-5H2,1H3,(H,20,21)/b22-16-;19-14-;2*18-13-;16-11-;15-10-.
What are the key properties of bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;(3Z)-1,5-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)indol-2-one;(3Z)-5-methyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;(3Z)-1,5-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)indol-2-one;(3Z)-5-methyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 2499.16 g/mol, XLogP of 19.70, 36 rotatable bonds, 15 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;(3Z)-1,5-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)indol-2-one;(3Z)-5-methyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 158108564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).