2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpiperidin-4-yl)amino]-4-methylphenyl]-N-(2-hydroxyethyl)-N-methylthieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-4-methylphenyl]thieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(3-morpholin-4-ylprop-1-ynyl)benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide

C142H170N22O18S4 — CID 160712483

About 2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpiperidin-4-yl)amino]-4-methylphenyl]-N-(2-hydroxyethyl)-N-methylthieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-4-methylphenyl]thieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(3-morpholin-4-ylprop-1-ynyl)benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide

2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpiperidin-4-yl)amino]-4-methylphenyl]-N-(2-hydroxyethyl)-N-methylthieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-4-methylphenyl]thieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(3-morpholin-4-ylprop-1-ynyl)benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide (PubChem CID 160712483) has the molecular formula C142H170N22O18S4 and a molecular weight of 2601.33 g/mol. Its IUPAC name is 2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpiperidin-4-yl)amino]-4-methylphenyl]-N-(2-hydroxyethyl)-N-methylthieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-4-methylphenyl]thieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(3-morpholin-4-ylprop-1-ynyl)benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide.

Molecular Properties

• Compound Name: 2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpiperidin-4-yl)amino]-4-methylphenyl]-N-(2-hydroxyethyl)-N-methylthieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-4-methylphenyl]thieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(3-morpholin-4-ylprop-1-ynyl)benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide
• PubChem CID: 160712483
• Molecular Formula: C142H170N22O18S4
• Molecular Weight: 2601.33 g/mol
• Exact Mass: 2599.19
• IUPAC Name: 2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpiperidin-4-yl)amino]-4-methylphenyl]-N-(2-hydroxyethyl)-N-methylthieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-4-methylphenyl]thieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(3-morpholin-4-ylprop-1-ynyl)benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide
• SMILES: C=CC(=O)N1CCC(N(CC)c2cc(-c3cc4sc(C(=O)N(C)CCO)cc4s3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1.C=CC(=O)N1CCC(N(CC)c2cc(-c3cc4sc(C(=O)NCc5c(C)cc(C)[nH]c5=O)cc4s3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)C1.C=CC(=O)N1CCC(N(CC)c2cc(-c3ccc(N4CCOCC4)nc3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)C1.C=CC(=O)N1CCC(N(CC)c2cc(C#CCN3CCOCC3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)C1
• InChI: InChI=1S/C40H44N6O5S2.C36H43N5O5S2.C34H42N6O4.C32H41N5O4/c1-8-36(47)45-11-10-27(20-45)46(9-2)31-15-26(14-28(25(31)7)37(48)41-18-29-21(3)12-23(5)43-38(29)49)32-16-33-34(52-32)17-35(53-33)40(51)42-19-30-22(4)13-24(6)44-39(30)50;1-7-33(43)40-11-9-25(10-12-40)41(8-2)28-17-24(29-18-30-31(47-29)19-32(48-30)36(46)39(6)13-14-42)16-26(23(28)5)34(44)37-20-27-21(3)15-22(4)38-35(27)45;1-6-32(41)39-11-10-27(21-39)40(7-2)30-18-26(25-8-9-31(35-19-25)38-12-14-44-15-13-38)17-28(24(30)5)33(42)36-20-29-22(3)16-23(4)37-34(29)43;1-6-30(38)36-12-10-26(21-36)37(7-2)29-19-25(9-8-11-35-13-15-41-16-14-35)18-27(24(29)5)31(39)33-20-28-22(3)17-23(4)34-32(28)40/h8,12-17,27H,1,9-11,18-20H2,2-7H3,(H,41,48)(H,42,51)(H,43,49)(H,44,50);7,15-19,25,42H,1,8-14,20H2,2-6H3,(H,37,44)(H,38,45);6,8-9,16-19,27H,1,7,10-15,20-21H2,2-5H3,(H,36,42)(H,37,43);6,17-19,26H,1,7,10-16,20-21H2,2-5H3,(H,33,39)(H,34,40)
• InChIKey: RSARNCJAFHZBJY-UHFFFAOYSA-N
• XLogP: 17.53
• TPSA: 482.37 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 39
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2601.33
LogP ≤ 5	17.53
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpiperidin-4-yl)amino]-4-methylphenyl]-N-(2-hydroxyethyl)-N-methylthieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-4-methylphenyl]thieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(3-morpholin-4-ylprop-1-ynyl)benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide?

The IUPAC name of 2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpiperidin-4-yl)amino]-4-methylphenyl]-N-(2-hydroxyethyl)-N-methylthieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-4-methylphenyl]thieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(3-morpholin-4-ylprop-1-ynyl)benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide (CID 160712483) is 2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpiperidin-4-yl)amino]-4-methylphenyl]-N-(2-hydroxyethyl)-N-methylthieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-4-methylphenyl]thieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(3-morpholin-4-ylprop-1-ynyl)benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide.

What is the SMILES notation for 2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpiperidin-4-yl)amino]-4-methylphenyl]-N-(2-hydroxyethyl)-N-methylthieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-4-methylphenyl]thieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(3-morpholin-4-ylprop-1-ynyl)benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide?

The canonical SMILES for 2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpiperidin-4-yl)amino]-4-methylphenyl]-N-(2-hydroxyethyl)-N-methylthieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-4-methylphenyl]thieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(3-morpholin-4-ylprop-1-ynyl)benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide is C=CC(=O)N1CCC(N(CC)c2cc(-c3cc4sc(C(=O)N(C)CCO)cc4s3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1.C=CC(=O)N1CCC(N(CC)c2cc(-c3cc4sc(C(=O)NCc5c(C)cc(C)[nH]c5=O)cc4s3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)C1.C=CC(=O)N1CCC(N(CC)c2cc(-c3ccc(N4CCOCC4)nc3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)C1.C=CC(=O)N1CCC(N(CC)c2cc(C#CCN3CCOCC3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)C1.

What is the InChIKey of 2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpiperidin-4-yl)amino]-4-methylphenyl]-N-(2-hydroxyethyl)-N-methylthieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-4-methylphenyl]thieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(3-morpholin-4-ylprop-1-ynyl)benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide?

The InChIKey is RSARNCJAFHZBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44N6O5S2.C36H43N5O5S2.C34H42N6O4.C32H41N5O4/c1-8-36(47)45-11-10-27(20-45)46(9-2)31-15-26(14-28(25(31)7)37(48)41-18-29-21(3)12-23(5)43-38(29)49)32-16-33-34(52-32)17-35(53-33)40(51)42-19-30-22(4)13-24(6)44-39(30)50;1-7-33(43)40-11-9-25(10-12-40)41(8-2)28-17-24(29-18-30-31(47-29)19-32(48-30)36(46)39(6)13-14-42)16-26(23(28)5)34(44)37-20-27-21(3)15-22(4)38-35(27)45;1-6-32(41)39-11-10-27(21-39)40(7-2)30-18-26(25-8-9-31(35-19-25)38-12-14-44-15-13-38)17-28(24(30)5)33(42)36-20-29-22(3)16-23(4)37-34(29)43;1-6-30(38)36-12-10-26(21-36)37(7-2)29-19-25(9-8-11-35-13-15-41-16-14-35)18-27(24(29)5)31(39)33-20-28-22(3)17-23(4)34-32(28)40/h8,12-17,27H,1,9-11,18-20H2,2-7H3,(H,41,48)(H,42,51)(H,43,49)(H,44,50);7,15-19,25,42H,1,8-14,20H2,2-6H3,(H,37,44)(H,38,45);6,8-9,16-19,27H,1,7,10-15,20-21H2,2-5H3,(H,36,42)(H,37,43);6,17-19,26H,1,7,10-16,20-21H2,2-5H3,(H,33,39)(H,34,40).

What are the key properties of 2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpiperidin-4-yl)amino]-4-methylphenyl]-N-(2-hydroxyethyl)-N-methylthieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-4-methylphenyl]thieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(3-morpholin-4-ylprop-1-ynyl)benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide?

2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpiperidin-4-yl)amino]-4-methylphenyl]-N-(2-hydroxyethyl)-N-methylthieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-4-methylphenyl]thieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(3-morpholin-4-ylprop-1-ynyl)benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide has a molecular weight of 2601.33 g/mol, XLogP of 17.53, 39 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpiperidin-4-yl)amino]-4-methylphenyl]-N-(2-hydroxyethyl)-N-methylthieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-4-methylphenyl]thieno[3,2-b]thiophene-5-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(3-morpholin-4-ylprop-1-ynyl)benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 160712483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).