potassium;sodium;2-(2-acetamido-4-pyridinyl)-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;azane;tert-butyl hypochlorite;2-chloro-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxylic acid;hydride;iodomethane;methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate;methyl 2,5-dichloro-1H-pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;hydroxide

C85H102BCl10IKN16NaO19 — CID 161487894

IUPACpotassium;sodium;2-(2-acetamido-4-pyridinyl)-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;azane;tert-butyl hypochlorite;2-chloro-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxylic acid;hydride;iodomethane;methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate;methyl 2,5-dichloro-1H-pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;hydroxide
SMILESCC(=O)Cc1cc(-c2cc(C(N)=O)c(-c3ccnc(NC(C)=O)c3)n2C)ccn1.CC(=O)Cc1cc(-c2cc(C(N)=O)c(Cl)n2C)ccn1.CC(=O)Cc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CC(C)(C)OCl.CI.COC(=O)c1cc(Cl)[nH]c1Cl.COC(=O)c1cc(Cl)n(C)c1Cl.COC(=O)c1cc[nH]c1.Cn1c(Cl)cc(C(=O)O)c1Cl.Cn1c(Cl)cc(C(N)=O)c1Cl.N.[H-].[K+].[Na+].[OH-]
InChIInChI=1S/C21H21N5O3.C14H20BNO3.C14H14ClN3O2.C7H7Cl2NO2.C6H6Cl2N2O.2C6H5Cl2NO2.C6H7NO2.C4H9ClO.CH3I.K.H3N.Na.H2O.H/c1-12(27)8-16-9-14(4-6-23-16)18-11-17(21(22)29)20(26(18)3)15-5-7-24-19(10-15)25-13(2)28;1-10(17)8-12-9-11(6-7-16-12)15-18-13(2,3)14(4,5)19-15;1-8(19)5-10-6-9(3-4-17-10)12-7-11(14(16)20)13(15)18(12)2;1-10-5(8)3-4(6(10)9)7(11)12-2;1-10-4(7)2-3(5(10)8)6(9)11;1-11-6(10)3-2-4(7)9-5(3)8;1-9-4(7)2-3(5(9)8)6(10)11;1-9-6(8)5-2-3-7-4-5;1-4(2,3)6-5;1-2;;;;;/h4-7,9-11H,8H2,1-3H3,(H2,22,29)(H,24,25,28);6-7,9H,8H2,1-5H3;3-4,6-7H,5H2,1-2H3,(H2,16,20);3H,1-2H3;2H,1H3,(H2,9,11);2,9H,1H3;2H,1H3,(H,10,11);2-4,7H,1H3;1-3H3;1H3;;1H3;;1H2;/q;;;;;;;;;;+1;;+1;;-1/p-1
InChIKeyKUQXSISRYJDECH-UHFFFAOYSA-M
MW2206.18 g/mol
LogP11.42
Rot. Bonds18

About potassium;sodium;2-(2-acetamido-4-pyridinyl)-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;azane;tert-butyl hypochlorite;2-chloro-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxylic acid;hydride;iodomethane;methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate;methyl 2,5-dichloro-1H-pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;hydroxide

potassium;sodium;2-(2-acetamido-4-pyridinyl)-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;azane;tert-butyl hypochlorite;2-chloro-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxylic acid;hydride;iodomethane;methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate;methyl 2,5-dichloro-1H-pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;hydroxide (PubChem CID 161487894) has the molecular formula C85H102BCl10IKN16NaO19 and a molecular weight of 2206.18 g/mol. Its IUPAC name is potassium;sodium;2-(2-acetamido-4-pyridinyl)-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;azane;tert-butyl hypochlorite;2-chloro-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxylic acid;hydride;iodomethane;methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate;methyl 2,5-dichloro-1H-pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;hydroxide.

Molecular Properties

Compound Namepotassium;sodium;2-(2-acetamido-4-pyridinyl)-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;azane;tert-butyl hypochlorite;2-chloro-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxylic acid;hydride;iodomethane;methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate;methyl 2,5-dichloro-1H-pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;hydroxide
PubChem CID161487894
Molecular FormulaC85H102BCl10IKN16NaO19
Molecular Weight2206.18 g/mol
Exact Mass2200.31
IUPAC Namepotassium;sodium;2-(2-acetamido-4-pyridinyl)-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;azane;tert-butyl hypochlorite;2-chloro-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxylic acid;hydride;iodomethane;methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate;methyl 2,5-dichloro-1H-pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;hydroxide
SMILESCC(=O)Cc1cc(-c2cc(C(N)=O)c(-c3ccnc(NC(C)=O)c3)n2C)ccn1.CC(=O)Cc1cc(-c2cc(C(N)=O)c(Cl)n2C)ccn1.CC(=O)Cc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CC(C)(C)OCl.CI.COC(=O)c1cc(Cl)[nH]c1Cl.COC(=O)c1cc(Cl)n(C)c1Cl.COC(=O)c1cc[nH]c1.Cn1c(Cl)cc(C(=O)O)c1Cl.Cn1c(Cl)cc(C(N)=O)c1Cl.N.[H-].[K+].[Na+].[OH-]
InChIInChI=1S/C21H21N5O3.C14H20BNO3.C14H14ClN3O2.C7H7Cl2NO2.C6H6Cl2N2O.2C6H5Cl2NO2.C6H7NO2.C4H9ClO.CH3I.K.H3N.Na.H2O.H/c1-12(27)8-16-9-14(4-6-23-16)18-11-17(21(22)29)20(26(18)3)15-5-7-24-19(10-15)25-13(2)28;1-10(17)8-12-9-11(6-7-16-12)15-18-13(2,3)14(4,5)19-15;1-8(19)5-10-6-9(3-4-17-10)12-7-11(14(16)20)13(15)18(12)2;1-10-5(8)3-4(6(10)9)7(11)12-2;1-10-4(7)2-3(5(10)8)6(9)11;1-11-6(10)3-2-4(7)9-5(3)8;1-9-4(7)2-3(5(9)8)6(10)11;1-9-6(8)5-2-3-7-4-5;1-4(2,3)6-5;1-2;;;;;/h4-7,9-11H,8H2,1-3H3,(H2,22,29)(H,24,25,28);6-7,9H,8H2,1-5H3;3-4,6-7H,5H2,1-2H3,(H2,16,20);3H,1-2H3;2H,1H3,(H2,9,11);2,9H,1H3;2H,1H3,(H,10,11);2-4,7H,1H3;1-3H3;1H3;;1H3;;1H2;/q;;;;;;;;;;+1;;+1;;-1/p-1
InChIKeyKUQXSISRYJDECH-UHFFFAOYSA-M
XLogP11.42
TPSA526.26 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002206.18
LogP ≤ 511.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze potassium;sodium;2-(2-acetamido-4-pyridinyl)-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;azane;tert-butyl hypochlorite;2-chloro-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxylic acid;hydride;iodomethane;methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate;methyl 2,5-dichloro-1H-pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;hydroxide with MolForge

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Launch Full Analysis

Related Compounds

2-[4-Chloro-3-(hydroxymethyl)-2-pyridinyl]-3,4,6,7,8,9-hexahydropyrido[3,4-b]indolizin-1-one;[4-chloro-2-(1-oxo-3,4,6,7,8,9-hexahydropyrido[3,4-b]indolizin-2-yl)-3-pyridinyl]methyl acetate;[3-(hydroxymethyl)-2-(1-oxo-3,4,6,7,8,9-hexahydropyrido[3,4-b]indolizin-2-yl)-4-pyridinyl]boronic acid;[4-[1-methyl-5-[[5-(1-methylazetidin-3-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]-2-(1-oxo-3,4,6,7,8,9-hexahydropyrido[3,4-b]indolizin-2-yl)-3-pyridinyl]methyl acetate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157208616
CID 161516583
CID 161516583
[3-(Acetyloxymethyl)-2-(1-oxo-3,4,6,7,8,9-hexahydropyrido[3,4-b]indolizin-2-yl)-4-pyridinyl]boronic acid;2-[4-chloro-3-(hydroxymethyl)-2-pyridinyl]-3,4,6,7,8,9-hexahydropyrido[3,4-b]indolizin-1-one;[4-chloro-2-(1-oxo-3,4,6,7,8,9-hexahydropyrido[3,4-b]indolizin-2-yl)-3-pyridinyl]methyl acetate;[4-[1-methyl-5-[[5-(1-methylazetidin-3-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]-2-(1-oxo-3,4,6,7,8,9-hexahydropyrido[3,4-b]indolizin-2-yl)-3-pyridinyl]methyl acetate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 161903053

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;2-(2-acetamido-4-pyridinyl)-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;azane;tert-butyl hypochlorite;2-chloro-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxylic acid;hydride;iodomethane;methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate;methyl 2,5-dichloro-1H-pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;hydroxide?
The IUPAC name of potassium;sodium;2-(2-acetamido-4-pyridinyl)-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;azane;tert-butyl hypochlorite;2-chloro-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxylic acid;hydride;iodomethane;methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate;methyl 2,5-dichloro-1H-pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;hydroxide (CID 161487894) is potassium;sodium;2-(2-acetamido-4-pyridinyl)-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;azane;tert-butyl hypochlorite;2-chloro-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxylic acid;hydride;iodomethane;methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate;methyl 2,5-dichloro-1H-pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;hydroxide.
What is the SMILES notation for potassium;sodium;2-(2-acetamido-4-pyridinyl)-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;azane;tert-butyl hypochlorite;2-chloro-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxylic acid;hydride;iodomethane;methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate;methyl 2,5-dichloro-1H-pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;hydroxide?
The canonical SMILES for potassium;sodium;2-(2-acetamido-4-pyridinyl)-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;azane;tert-butyl hypochlorite;2-chloro-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxylic acid;hydride;iodomethane;methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate;methyl 2,5-dichloro-1H-pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;hydroxide is CC(=O)Cc1cc(-c2cc(C(N)=O)c(-c3ccnc(NC(C)=O)c3)n2C)ccn1.CC(=O)Cc1cc(-c2cc(C(N)=O)c(Cl)n2C)ccn1.CC(=O)Cc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CC(C)(C)OCl.CI.COC(=O)c1cc(Cl)[nH]c1Cl.COC(=O)c1cc(Cl)n(C)c1Cl.COC(=O)c1cc[nH]c1.Cn1c(Cl)cc(C(=O)O)c1Cl.Cn1c(Cl)cc(C(N)=O)c1Cl.N.[H-].[K+].[Na+].[OH-].
What is the InChIKey of potassium;sodium;2-(2-acetamido-4-pyridinyl)-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;azane;tert-butyl hypochlorite;2-chloro-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxylic acid;hydride;iodomethane;methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate;methyl 2,5-dichloro-1H-pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;hydroxide?
The InChIKey is KUQXSISRYJDECH-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H21N5O3.C14H20BNO3.C14H14ClN3O2.C7H7Cl2NO2.C6H6Cl2N2O.2C6H5Cl2NO2.C6H7NO2.C4H9ClO.CH3I.K.H3N.Na.H2O.H/c1-12(27)8-16-9-14(4-6-23-16)18-11-17(21(22)29)20(26(18)3)15-5-7-24-19(10-15)25-13(2)28;1-10(17)8-12-9-11(6-7-16-12)15-18-13(2,3)14(4,5)19-15;1-8(19)5-10-6-9(3-4-17-10)12-7-11(14(16)20)13(15)18(12)2;1-10-5(8)3-4(6(10)9)7(11)12-2;1-10-4(7)2-3(5(10)8)6(9)11;1-11-6(10)3-2-4(7)9-5(3)8;1-9-4(7)2-3(5(9)8)6(10)11;1-9-6(8)5-2-3-7-4-5;1-4(2,3)6-5;1-2;;;;;/h4-7,9-11H,8H2,1-3H3,(H2,22,29)(H,24,25,28);6-7,9H,8H2,1-5H3;3-4,6-7H,5H2,1-2H3,(H2,16,20);3H,1-2H3;2H,1H3,(H2,9,11);2,9H,1H3;2H,1H3,(H,10,11);2-4,7H,1H3;1-3H3;1H3;;1H3;;1H2;/q;;;;;;;;;;+1;;+1;;-1/p-1.
What are the key properties of potassium;sodium;2-(2-acetamido-4-pyridinyl)-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;azane;tert-butyl hypochlorite;2-chloro-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxylic acid;hydride;iodomethane;methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate;methyl 2,5-dichloro-1H-pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;hydroxide?
potassium;sodium;2-(2-acetamido-4-pyridinyl)-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;azane;tert-butyl hypochlorite;2-chloro-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxylic acid;hydride;iodomethane;methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate;methyl 2,5-dichloro-1H-pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;hydroxide has a molecular weight of 2206.18 g/mol, XLogP of 11.42, 18 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;2-(2-acetamido-4-pyridinyl)-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;azane;tert-butyl hypochlorite;2-chloro-1-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxamide;2,5-dichloro-1-methylpyrrole-3-carboxylic acid;hydride;iodomethane;methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate;methyl 2,5-dichloro-1H-pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;hydroxide is sourced from PubChem (CID 161487894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).