potassium;5-bromo-2-chloro-4-methoxypyridine;(3R)-4-[2-[4-[1-(5-bromo-4-methoxy-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide

C145H183BBr2ClKN22O22S2 — CID 163447953

About potassium;5-bromo-2-chloro-4-methoxypyridine;(3R)-4-[2-[4-[1-(5-bromo-4-methoxy-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide

potassium;5-bromo-2-chloro-4-methoxypyridine;(3R)-4-[2-[4-[1-(5-bromo-4-methoxy-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide (PubChem CID 163447953) has the molecular formula C145H183BBr2ClKN22O22S2 and a molecular weight of 2895.50 g/mol. Its IUPAC name is potassium;5-bromo-2-chloro-4-methoxypyridine;(3R)-4-[2-[4-[1-(5-bromo-4-methoxy-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide.

Molecular Properties

• Compound Name: potassium;5-bromo-2-chloro-4-methoxypyridine;(3R)-4-[2-[4-[1-(5-bromo-4-methoxy-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide
• PubChem CID: 163447953
• Molecular Formula: C145H183BBr2ClKN22O22S2
• Molecular Weight: 2895.50 g/mol
• Exact Mass: 2891.11
• IUPAC Name: potassium;5-bromo-2-chloro-4-methoxypyridine;(3R)-4-[2-[4-[1-(5-bromo-4-methoxy-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide
• SMILES: C.COc1cc(Cl)ncc1Br.COc1cc(N2CCC(c3ccc(OCCN4CCN(C)C(=O)[C@H]4C)cc3)CC2)ncc1-c1cn(C)c(=O)c2[nH]ccc12.COc1cc(N2CCC(c3ccc(OCCN4CCN(C)C(=O)[C@H]4C)cc3)CC2)ncc1-c1cn(C)c(=O)c2c1ccn2S(=O)(=O)c1ccc(C)cc1.COc1cc(N2CCC(c3ccc(OCCN4CCN(C)C(=O)[C@H]4C)cc3)CC2)ncc1Br.C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(C2CCNCC2)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)cn(C)c(=O)c32)cc1.[K+].[OH-]
• InChI: InChI=1S/C40H46N6O6S.C33H40N6O4.C25H33BrN4O3.C21H25BN2O5S.C19H29N3O2.C6H5BrClNO.CH4.K.H2O/c1-27-6-12-32(13-7-27)53(49,50)46-19-16-33-35(26-43(4)40(48)38(33)46)34-25-41-37(24-36(34)51-5)45-17-14-30(15-18-45)29-8-10-31(11-9-29)52-23-22-44-21-20-42(3)39(47)28(44)2;1-22-32(40)36(2)15-16-38(22)17-18-43-25-7-5-23(6-8-25)24-10-13-39(14-11-24)30-19-29(42-4)27(20-35-30)28-21-37(3)33(41)31-26(28)9-12-34-31;1-18-25(31)28(2)12-13-29(18)14-15-33-21-6-4-19(5-7-21)20-8-10-30(11-9-20)24-16-23(32-3)22(26)17-27-24;1-14-7-9-15(10-8-14)30(26,27)24-12-11-16-17(13-23(6)19(25)18(16)24)22-28-20(2,3)21(4,5)29-22;1-15-19(23)21(2)11-12-22(15)13-14-24-18-5-3-16(4-6-18)17-7-9-20-10-8-17;1-10-5-2-6(8)9-3-4(5)7;;;/h6-13,16,19,24-26,28,30H,14-15,17-18,20-23H2,1-5H3;5-9,12,19-22,24,34H,10-11,13-18H2,1-4H3;4-7,16-18,20H,8-15H2,1-3H3;7-13H,1-6H3;3-6,15,17,20H,7-14H2,1-2H3;2-3H,1H3;1H4;;1H2/q;;;;;;;+1;/p-1/t28-;22-;18-;;15-;;;;/m111.1..../s1
• InChIKey: BECKGFKOAZOCMN-JOOVJRFYSA-M
• XLogP: 16.37
• TPSA: 449.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 39
• Rotatable Bonds: 34
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2895.50
LogP ≤ 5	16.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;5-bromo-2-chloro-4-methoxypyridine;(3R)-4-[2-[4-[1-(5-bromo-4-methoxy-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide?

The IUPAC name of potassium;5-bromo-2-chloro-4-methoxypyridine;(3R)-4-[2-[4-[1-(5-bromo-4-methoxy-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide (CID 163447953) is potassium;5-bromo-2-chloro-4-methoxypyridine;(3R)-4-[2-[4-[1-(5-bromo-4-methoxy-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide.

What is the SMILES notation for potassium;5-bromo-2-chloro-4-methoxypyridine;(3R)-4-[2-[4-[1-(5-bromo-4-methoxy-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide?

The canonical SMILES for potassium;5-bromo-2-chloro-4-methoxypyridine;(3R)-4-[2-[4-[1-(5-bromo-4-methoxy-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide is C.COc1cc(Cl)ncc1Br.COc1cc(N2CCC(c3ccc(OCCN4CCN(C)C(=O)[C@H]4C)cc3)CC2)ncc1-c1cn(C)c(=O)c2[nH]ccc12.COc1cc(N2CCC(c3ccc(OCCN4CCN(C)C(=O)[C@H]4C)cc3)CC2)ncc1-c1cn(C)c(=O)c2c1ccn2S(=O)(=O)c1ccc(C)cc1.COc1cc(N2CCC(c3ccc(OCCN4CCN(C)C(=O)[C@H]4C)cc3)CC2)ncc1Br.C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(C2CCNCC2)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)cn(C)c(=O)c32)cc1.[K+].[OH-].

What is the InChIKey of potassium;5-bromo-2-chloro-4-methoxypyridine;(3R)-4-[2-[4-[1-(5-bromo-4-methoxy-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide?

The InChIKey is BECKGFKOAZOCMN-JOOVJRFYSA-M. The full InChI is InChI=1S/C40H46N6O6S.C33H40N6O4.C25H33BrN4O3.C21H25BN2O5S.C19H29N3O2.C6H5BrClNO.CH4.K.H2O/c1-27-6-12-32(13-7-27)53(49,50)46-19-16-33-35(26-43(4)40(48)38(33)46)34-25-41-37(24-36(34)51-5)45-17-14-30(15-18-45)29-8-10-31(11-9-29)52-23-22-44-21-20-42(3)39(47)28(44)2;1-22-32(40)36(2)15-16-38(22)17-18-43-25-7-5-23(6-8-25)24-10-13-39(14-11-24)30-19-29(42-4)27(20-35-30)28-21-37(3)33(41)31-26(28)9-12-34-31;1-18-25(31)28(2)12-13-29(18)14-15-33-21-6-4-19(5-7-21)20-8-10-30(11-9-20)24-16-23(32-3)22(26)17-27-24;1-14-7-9-15(10-8-14)30(26,27)24-12-11-16-17(13-23(6)19(25)18(16)24)22-28-20(2,3)21(4,5)29-22;1-15-19(23)21(2)11-12-22(15)13-14-24-18-5-3-16(4-6-18)17-7-9-20-10-8-17;1-10-5-2-6(8)9-3-4(5)7;;;/h6-13,16,19,24-26,28,30H,14-15,17-18,20-23H2,1-5H3;5-9,12,19-22,24,34H,10-11,13-18H2,1-4H3;4-7,16-18,20H,8-15H2,1-3H3;7-13H,1-6H3;3-6,15,17,20H,7-14H2,1-2H3;2-3H,1H3;1H4;;1H2/q;;;;;;;+1;/p-1/t28-;22-;18-;;15-;;;;/m111.1..../s1.

What are the key properties of potassium;5-bromo-2-chloro-4-methoxypyridine;(3R)-4-[2-[4-[1-(5-bromo-4-methoxy-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide?

potassium;5-bromo-2-chloro-4-methoxypyridine;(3R)-4-[2-[4-[1-(5-bromo-4-methoxy-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide has a molecular weight of 2895.50 g/mol, XLogP of 16.37, 34 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;5-bromo-2-chloro-4-methoxypyridine;(3R)-4-[2-[4-[1-(5-bromo-4-methoxy-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide is sourced from PubChem (CID 163447953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).