5-[4-(1,1-difluoroethyl)phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-[[1-(trimethylsilylmethoxymethyl)-1,2,4-triazol-3-yl]oxy]phenyl]pyrrolidine-2,3-dione;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;N-[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide

C145H134F11N19O23SSi — CID 158184208

About 5-[4-(1,1-difluoroethyl)phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-[[1-(trimethylsilylmethoxymethyl)-1,2,4-triazol-3-yl]oxy]phenyl]pyrrolidine-2,3-dione;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;N-[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide

5-[4-(1,1-difluoroethyl)phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-[[1-(trimethylsilylmethoxymethyl)-1,2,4-triazol-3-yl]oxy]phenyl]pyrrolidine-2,3-dione;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;N-[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide (PubChem CID 158184208) has the molecular formula C145H134F11N19O23SSi and a molecular weight of 2779.91 g/mol. Its IUPAC name is 5-[4-(1,1-difluoroethyl)phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-[[1-(trimethylsilylmethoxymethyl)-1,2,4-triazol-3-yl]oxy]phenyl]pyrrolidine-2,3-dione;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;N-[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide.

Molecular Properties

• Compound Name: 5-[4-(1,1-difluoroethyl)phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-[[1-(trimethylsilylmethoxymethyl)-1,2,4-triazol-3-yl]oxy]phenyl]pyrrolidine-2,3-dione;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;N-[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide
• PubChem CID: 158184208
• Molecular Formula: C145H134F11N19O23SSi
• Molecular Weight: 2779.91 g/mol
• Exact Mass: 2777.92
• IUPAC Name: 5-[4-(1,1-difluoroethyl)phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-[[1-(trimethylsilylmethoxymethyl)-1,2,4-triazol-3-yl]oxy]phenyl]pyrrolidine-2,3-dione;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;N-[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide
• SMILES: COC(=O)[C@H](OC1=C(C(=O)c2ccc(C(C)C)cc2)[C@@H](c2ccc(OC(F)(F)F)cc2)N(c2ccc(C)nn2)C1=O)c1ccccc1.Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)[C@@H]2c2ccc(OC(F)(F)F)cc2)cc1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(C(C)(F)F)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(Oc3ncn(COC[Si](C)(C)C)n3)cc2)nn1.Cc1ccc(N2C(=O)C(NS(C)(=O)=O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2ccc(OC(F)(F)F)cc2)nn1
• InChI: InChI=1S/C35H30F3N3O6.C32H36N6O5Si.C27H25F3N4O5S.C27H25F2N3O3.C24H18F3N3O4/c1-20(2)22-11-13-24(14-12-22)30(42)28-29(23-15-17-26(18-16-23)47-35(36,37)38)41(27-19-10-21(3)39-40-27)33(43)32(28)46-31(34(44)45-4)25-8-6-5-7-9-25;1-20(2)22-8-10-24(11-9-22)29(39)27-28(38(31(41)30(27)40)26-16-7-21(3)34-35-26)23-12-14-25(15-13-23)43-32-33-17-37(36-32)18-42-19-44(4,5)6;1-15(2)17-6-8-19(9-7-17)25(35)22-23(33-40(4,37)38)26(36)34(21-14-5-16(3)31-32-21)24(22)18-10-12-20(13-11-18)39-27(28,29)30;1-15(2)17-6-8-19(9-7-17)24(33)22-23(18-10-12-20(13-11-18)27(4,28)29)32(26(35)25(22)34)21-14-5-16(3)30-31-21;1-13-3-6-16(7-4-13)21(31)19-20(15-8-10-17(11-9-15)34-24(25,26)27)30(23(33)22(19)32)18-12-5-14(2)28-29-18/h5-20,29,31H,1-4H3;7-17,20,28,39H,18-19H2,1-6H3;5-15,24,33H,1-4H3;5-15,23,33H,1-4H3;3-12,20,31H,1-2H3/t29-,31-;;24-;;20-/m1.1.1/s1
• InChIKey: QCXJWRNSFNBDRC-BUOCJGMGSA-N
• XLogP: 27.58
• TPSA: 535.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 37
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2779.91
LogP ≤ 5	27.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,1-difluoroethyl)phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-[[1-(trimethylsilylmethoxymethyl)-1,2,4-triazol-3-yl]oxy]phenyl]pyrrolidine-2,3-dione;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;N-[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide?

The IUPAC name of 5-[4-(1,1-difluoroethyl)phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-[[1-(trimethylsilylmethoxymethyl)-1,2,4-triazol-3-yl]oxy]phenyl]pyrrolidine-2,3-dione;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;N-[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide (CID 158184208) is 5-[4-(1,1-difluoroethyl)phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-[[1-(trimethylsilylmethoxymethyl)-1,2,4-triazol-3-yl]oxy]phenyl]pyrrolidine-2,3-dione;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;N-[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide.

What is the SMILES notation for 5-[4-(1,1-difluoroethyl)phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-[[1-(trimethylsilylmethoxymethyl)-1,2,4-triazol-3-yl]oxy]phenyl]pyrrolidine-2,3-dione;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;N-[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide?

The canonical SMILES for 5-[4-(1,1-difluoroethyl)phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-[[1-(trimethylsilylmethoxymethyl)-1,2,4-triazol-3-yl]oxy]phenyl]pyrrolidine-2,3-dione;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;N-[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide is COC(=O)[C@H](OC1=C(C(=O)c2ccc(C(C)C)cc2)[C@@H](c2ccc(OC(F)(F)F)cc2)N(c2ccc(C)nn2)C1=O)c1ccccc1.Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)[C@@H]2c2ccc(OC(F)(F)F)cc2)cc1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(C(C)(F)F)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(Oc3ncn(COC[Si](C)(C)C)n3)cc2)nn1.Cc1ccc(N2C(=O)C(NS(C)(=O)=O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2ccc(OC(F)(F)F)cc2)nn1.

What is the InChIKey of 5-[4-(1,1-difluoroethyl)phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-[[1-(trimethylsilylmethoxymethyl)-1,2,4-triazol-3-yl]oxy]phenyl]pyrrolidine-2,3-dione;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;N-[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide?

The InChIKey is QCXJWRNSFNBDRC-BUOCJGMGSA-N. The full InChI is InChI=1S/C35H30F3N3O6.C32H36N6O5Si.C27H25F3N4O5S.C27H25F2N3O3.C24H18F3N3O4/c1-20(2)22-11-13-24(14-12-22)30(42)28-29(23-15-17-26(18-16-23)47-35(36,37)38)41(27-19-10-21(3)39-40-27)33(43)32(28)46-31(34(44)45-4)25-8-6-5-7-9-25;1-20(2)22-8-10-24(11-9-22)29(39)27-28(38(31(41)30(27)40)26-16-7-21(3)34-35-26)23-12-14-25(15-13-23)43-32-33-17-37(36-32)18-42-19-44(4,5)6;1-15(2)17-6-8-19(9-7-17)25(35)22-23(33-40(4,37)38)26(36)34(21-14-5-16(3)31-32-21)24(22)18-10-12-20(13-11-18)39-27(28,29)30;1-15(2)17-6-8-19(9-7-17)24(33)22-23(18-10-12-20(13-11-18)27(4,28)29)32(26(35)25(22)34)21-14-5-16(3)30-31-21;1-13-3-6-16(7-4-13)21(31)19-20(15-8-10-17(11-9-15)34-24(25,26)27)30(23(33)22(19)32)18-12-5-14(2)28-29-18/h5-20,29,31H,1-4H3;7-17,20,28,39H,18-19H2,1-6H3;5-15,24,33H,1-4H3;5-15,23,33H,1-4H3;3-12,20,31H,1-2H3/t29-,31-;;24-;;20-/m1.1.1/s1.

What are the key properties of 5-[4-(1,1-difluoroethyl)phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-[[1-(trimethylsilylmethoxymethyl)-1,2,4-triazol-3-yl]oxy]phenyl]pyrrolidine-2,3-dione;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;N-[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide?

5-[4-(1,1-difluoroethyl)phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-[[1-(trimethylsilylmethoxymethyl)-1,2,4-triazol-3-yl]oxy]phenyl]pyrrolidine-2,3-dione;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;N-[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide has a molecular weight of 2779.91 g/mol, XLogP of 27.58, 37 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(1,1-difluoroethyl)phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-[[1-(trimethylsilylmethoxymethyl)-1,2,4-triazol-3-yl]oxy]phenyl]pyrrolidine-2,3-dione;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;N-[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide is sourced from PubChem (CID 158184208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).