N-(2-aminophenyl)-4-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;1-[3-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one;1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one

C155H126Cl7N37O7S7 — CID 160842185

About N-(2-aminophenyl)-4-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;1-[3-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one;1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one

N-(2-aminophenyl)-4-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;1-[3-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one;1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one (PubChem CID 160842185) has the molecular formula C155H126Cl7N37O7S7 and a molecular weight of 3091.60 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;1-[3-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one;1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-4-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;1-[3-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one;1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one
• PubChem CID: 160842185
• Molecular Formula: C155H126Cl7N37O7S7
• Molecular Weight: 3091.60 g/mol
• Exact Mass: 3085.65
• IUPAC Name: N-(2-aminophenyl)-4-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;1-[3-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one;1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one
• SMILES: CCC(=O)c1cccc(Nc2ncc(-c3c(C)nc4c(Cl)cccn34)s2)c1.CCC(=O)c1cccc(Nc2ncc(-c3c(C)nc4cccc(Cl)n34)s2)c1.CNC(=O)c1ccc(Nc2ncc(-c3c(C)nc4ccc(Cl)cn34)s2)cc1.Cc1nc2c(Cl)cccn2c1-c1cnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)s1.Cc1nc2cc(Cl)ccn2c1-c1cnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)s1.Cc1nc2ccc(Cl)cn2c1-c1cnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)s1.Cc1nc2cccc(Cl)n2c1-c1cnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)s1
• InChI: InChI=1S/4C24H19ClN6OS.2C20H17ClN4OS.C19H16ClN5OS/c1-14-21(31-12-4-5-17(25)22(31)28-14)20-13-27-24(33-20)29-16-10-8-15(9-11-16)23(32)30-19-7-3-2-6-18(19)26;1-14-22(31-20(25)7-4-8-21(31)28-14)19-13-27-24(33-19)29-16-11-9-15(10-12-16)23(32)30-18-6-3-2-5-17(18)26;1-14-22(31-13-16(25)8-11-21(31)28-14)20-12-27-24(33-20)29-17-9-6-15(7-10-17)23(32)30-19-5-3-2-4-18(19)26;1-14-22(31-11-10-16(25)12-21(31)28-14)20-13-27-24(33-20)29-17-8-6-15(7-9-17)23(32)30-19-5-3-2-4-18(19)26;1-3-16(26)13-6-4-7-14(10-13)24-20-22-11-17(27-20)18-12(2)23-19-15(21)8-5-9-25(18)19;1-3-15(26)13-6-4-7-14(10-13)24-20-22-11-16(27-20)19-12(2)23-18-9-5-8-17(21)25(18)19;1-11-17(25-10-13(20)5-8-16(25)23-11)15-9-22-19(27-15)24-14-6-3-12(4-7-14)18(26)21-2/h4*2-13H,26H2,1H3,(H,27,29)(H,30,32);2*4-11H,3H2,1-2H3,(H,22,24);3-10H,1-2H3,(H,21,26)(H,22,24)
• InChIKey: SIEDQQYTAUJKMY-UHFFFAOYSA-N
• XLogP: 40.03
• TPSA: 579.26 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 46
• Rotatable Bonds: 34
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3091.60
LogP ≤ 5	40.03
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;1-[3-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one;1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one?

The IUPAC name of N-(2-aminophenyl)-4-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;1-[3-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one;1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one (CID 160842185) is N-(2-aminophenyl)-4-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;1-[3-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one;1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one.

What is the SMILES notation for N-(2-aminophenyl)-4-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;1-[3-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one;1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one?

The canonical SMILES for N-(2-aminophenyl)-4-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;1-[3-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one;1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one is CCC(=O)c1cccc(Nc2ncc(-c3c(C)nc4c(Cl)cccn34)s2)c1.CCC(=O)c1cccc(Nc2ncc(-c3c(C)nc4cccc(Cl)n34)s2)c1.CNC(=O)c1ccc(Nc2ncc(-c3c(C)nc4ccc(Cl)cn34)s2)cc1.Cc1nc2c(Cl)cccn2c1-c1cnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)s1.Cc1nc2cc(Cl)ccn2c1-c1cnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)s1.Cc1nc2ccc(Cl)cn2c1-c1cnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)s1.Cc1nc2cccc(Cl)n2c1-c1cnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)s1.

What is the InChIKey of N-(2-aminophenyl)-4-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;1-[3-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one;1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one?

The InChIKey is SIEDQQYTAUJKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C24H19ClN6OS.2C20H17ClN4OS.C19H16ClN5OS/c1-14-21(31-12-4-5-17(25)22(31)28-14)20-13-27-24(33-20)29-16-10-8-15(9-11-16)23(32)30-19-7-3-2-6-18(19)26;1-14-22(31-20(25)7-4-8-21(31)28-14)19-13-27-24(33-19)29-16-11-9-15(10-12-16)23(32)30-18-6-3-2-5-17(18)26;1-14-22(31-13-16(25)8-11-21(31)28-14)20-12-27-24(33-20)29-17-9-6-15(7-10-17)23(32)30-19-5-3-2-4-18(19)26;1-14-22(31-11-10-16(25)12-21(31)28-14)20-13-27-24(33-20)29-17-8-6-15(7-9-17)23(32)30-19-5-3-2-4-18(19)26;1-3-16(26)13-6-4-7-14(10-13)24-20-22-11-17(27-20)18-12(2)23-19-15(21)8-5-9-25(18)19;1-3-15(26)13-6-4-7-14(10-13)24-20-22-11-16(27-20)19-12(2)23-18-9-5-8-17(21)25(18)19;1-11-17(25-10-13(20)5-8-16(25)23-11)15-9-22-19(27-15)24-14-6-3-12(4-7-14)18(26)21-2/h4*2-13H,26H2,1H3,(H,27,29)(H,30,32);2*4-11H,3H2,1-2H3,(H,22,24);3-10H,1-2H3,(H,21,26)(H,22,24).

What are the key properties of N-(2-aminophenyl)-4-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;1-[3-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one;1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one?

N-(2-aminophenyl)-4-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;1-[3-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one;1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one has a molecular weight of 3091.60 g/mol, XLogP of 40.03, 34 rotatable bonds, 16 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-4-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;1-[3-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one;1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one is sourced from PubChem (CID 160842185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).