6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one

C166H185N31O13 — CID 161478240

About 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one

6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161478240) has the molecular formula C166H185N31O13 and a molecular weight of 2822.51 g/mol. Its IUPAC name is 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 161478240
• Molecular Formula: C166H185N31O13
• Molecular Weight: 2822.51 g/mol
• Exact Mass: 2820.48
• IUPAC Name: 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C#Cc1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(C2CN(C)c3ccccc3C2=O)c1=O.C=C(c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(C2C(=O)c3ccccc3CC2(C)C)c1=O)C(C)C.CCC(CC)c1cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc2n(C2Cc3ccccc3C(=O)C2(C)C)c1=O.CCOc1cc2cnc(Nc3ccc(NC4CCN(C)CC4)cc3)nc2n(C2Cc3ccccc3N(C)C2=O)c1=O.CN1CCCC(Nc2ccc(Nc3ncc4cc(C5CC5)c(=O)n(C5Cc6ccccc6C(=O)N5C)c4n3)cc2)C1
• InChI: InChI=1S/C36H41N5O3.C36H43N5O3.C32H35N7O2.C31H35N7O3.C31H31N7O2/c1-22(2)23(3)30-18-25-20-37-35(38-26-13-15-27(16-14-26)44-28-11-9-17-40(6)21-28)39-33(25)41(34(30)43)32-31(42)29-12-8-7-10-24(29)19-36(32,4)5;1-6-23(7-2)30-20-25-22-37-35(38-26-12-14-27(15-13-26)44-28-16-18-40(5)19-17-28)39-33(25)41(34(30)43)31-21-24-10-8-9-11-29(24)32(42)36(31,3)4;1-37-15-5-7-25(19-37)34-23-11-13-24(14-12-23)35-32-33-18-22-16-27(20-9-10-20)31(41)39(29(22)36-32)28-17-21-6-3-4-8-26(21)30(40)38(28)2;1-4-41-27-18-21-19-32-31(34-23-11-9-22(10-12-23)33-24-13-15-36(2)16-14-24)35-28(21)38(30(27)40)26-17-20-7-5-6-8-25(20)37(3)29(26)39;1-4-20-17-21-18-33-31(34-22-9-11-23(12-10-22)37(3)24-13-15-32-16-14-24)35-29(21)38(30(20)40)27-19-36(2)26-8-6-5-7-25(26)28(27)39/h7-8,10,12-16,18,20,22,28,32H,3,9,11,17,19,21H2,1-2,4-6H3,(H,37,38,39);8-15,20,22-23,28,31H,6-7,16-19,21H2,1-5H3,(H,37,38,39);3-4,6,8,11-14,16,18,20,25,28,34H,5,7,9-10,15,17,19H2,1-2H3,(H,33,35,36);5-12,18-19,24,26,33H,4,13-17H2,1-3H3,(H,32,34,35);1,5-12,17-18,24,27,32H,13-16,19H2,2-3H3,(H,33,34,35)
• InChIKey: WDZRQPUCCONBQI-UHFFFAOYSA-N
• XLogP: 26.13
• TPSA: 474.10 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 33
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2822.51
LogP ≤ 5	26.13
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one (CID 161478240) is 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one is C#Cc1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(C2CN(C)c3ccccc3C2=O)c1=O.C=C(c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(C2C(=O)c3ccccc3CC2(C)C)c1=O)C(C)C.CCC(CC)c1cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc2n(C2Cc3ccccc3C(=O)C2(C)C)c1=O.CCOc1cc2cnc(Nc3ccc(NC4CCN(C)CC4)cc3)nc2n(C2Cc3ccccc3N(C)C2=O)c1=O.CN1CCCC(Nc2ccc(Nc3ncc4cc(C5CC5)c(=O)n(C5Cc6ccccc6C(=O)N5C)c4n3)cc2)C1.

What is the InChIKey of 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is WDZRQPUCCONBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N5O3.C36H43N5O3.C32H35N7O2.C31H35N7O3.C31H31N7O2/c1-22(2)23(3)30-18-25-20-37-35(38-26-13-15-27(16-14-26)44-28-11-9-17-40(6)21-28)39-33(25)41(34(30)43)32-31(42)29-12-8-7-10-24(29)19-36(32,4)5;1-6-23(7-2)30-20-25-22-37-35(38-26-12-14-27(15-13-26)44-28-16-18-40(5)19-17-28)39-33(25)41(34(30)43)31-21-24-10-8-9-11-29(24)32(42)36(31,3)4;1-37-15-5-7-25(19-37)34-23-11-13-24(14-12-23)35-32-33-18-22-16-27(20-9-10-20)31(41)39(29(22)36-32)28-17-21-6-3-4-8-26(21)30(40)38(28)2;1-4-41-27-18-21-19-32-31(34-23-11-9-22(10-12-23)33-24-13-15-36(2)16-14-24)35-28(21)38(30(27)40)26-17-20-7-5-6-8-25(20)37(3)29(26)39;1-4-20-17-21-18-33-31(34-22-9-11-23(12-10-22)37(3)24-13-15-32-16-14-24)35-29(21)38(30(20)40)27-19-36(2)26-8-6-5-7-25(26)28(27)39/h7-8,10,12-16,18,20,22,28,32H,3,9,11,17,19,21H2,1-2,4-6H3,(H,37,38,39);8-15,20,22-23,28,31H,6-7,16-19,21H2,1-5H3,(H,37,38,39);3-4,6,8,11-14,16,18,20,25,28,34H,5,7,9-10,15,17,19H2,1-2H3,(H,33,35,36);5-12,18-19,24,26,33H,4,13-17H2,1-3H3,(H,32,34,35);1,5-12,17-18,24,27,32H,13-16,19H2,2-3H3,(H,33,34,35).

What are the key properties of 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one?

6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2822.51 g/mol, XLogP of 26.13, 33 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161478240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).