1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-6-methylphenyl)ethanone;azane;2-chloro-6-methylaniline;N-(2-chloro-6-methylphenyl)butanamide;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol;4,6-dichloro-2-methylpyrimidine;(E)-3-ethoxyprop-2-enoyl chloride;oxolane;2-piperazin-1-ylethanol;thiourea;hydroiodide

C85H118Cl8IN21O9S3 — CID 162044106

IUPAC1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-6-methylphenyl)ethanone;azane;2-chloro-6-methylaniline;N-(2-chloro-6-methylphenyl)butanamide;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol;4,6-dichloro-2-methylpyrimidine;(E)-3-ethoxyprop-2-enoyl chloride;oxolane;2-piperazin-1-ylethanol;thiourea;hydroiodide
SMILESC1CCOC1.CCCC(=O)Nc1c(C)cccc1Cl.CCO/C=C/C(=O)Cl.Cc1cccc(Cl)c1CC(=O)c1cnc(N)s1.Cc1cccc(Cl)c1N.Cc1nc(Cl)cc(Cl)n1.Cc1nc(Cl)cc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ncc(C(=O)Cc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1.I.N.NC(N)=S.OCCN1CCNCC1
InChIInChI=1S/C23H27ClN6O2S.C12H11ClN2OS.C11H17ClN4O.C11H14ClNO.C7H8ClN.C6H14N2O.C5H4Cl2N2.C5H7ClO2.C4H8O.CH4N2S.HI.H3N/c1-15-4-3-5-18(24)17(15)12-19(32)20-14-25-23(33-20)28-21-13-22(27-16(2)26-21)30-8-6-29(7-9-30)10-11-31;1-7-3-2-4-9(13)8(7)5-10(16)11-6-15-12(14)17-11;1-9-13-10(12)8-11(14-9)16-4-2-15(3-5-16)6-7-17;1-3-5-10(14)13-11-8(2)6-4-7-9(11)12;1-5-3-2-4-6(8)7(5)9;9-6-5-8-3-1-7-2-4-8;1-3-8-4(6)2-5(7)9-3;1-2-8-4-3-5(6)7;1-2-4-5-3-1;2-1(3)4;;/h3-5,13-14,31H,6-12H2,1-2H3,(H,25,26,27,28);2-4,6H,5H2,1H3,(H2,14,15);8,17H,2-7H2,1H3;4,6-7H,3,5H2,1-2H3,(H,13,14);2-4H,9H2,1H3;7,9H,1-6H2;2H,1H3;3-4H,2H2,1H3;1-4H2;(H4,2,3,4);1H;1H3/b;;;;;;;4-3+;;;;
InChIKeyYVFKEGUACBBVCC-XMHYHFGSSA-N
MW2084.75 g/mol
LogP15.81
Rot. Bonds22

About 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-6-methylphenyl)ethanone;azane;2-chloro-6-methylaniline;N-(2-chloro-6-methylphenyl)butanamide;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol;4,6-dichloro-2-methylpyrimidine;(E)-3-ethoxyprop-2-enoyl chloride;oxolane;2-piperazin-1-ylethanol;thiourea;hydroiodide

1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-6-methylphenyl)ethanone;azane;2-chloro-6-methylaniline;N-(2-chloro-6-methylphenyl)butanamide;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol;4,6-dichloro-2-methylpyrimidine;(E)-3-ethoxyprop-2-enoyl chloride;oxolane;2-piperazin-1-ylethanol;thiourea;hydroiodide (PubChem CID 162044106) has the molecular formula C85H118Cl8IN21O9S3 and a molecular weight of 2084.75 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-6-methylphenyl)ethanone;azane;2-chloro-6-methylaniline;N-(2-chloro-6-methylphenyl)butanamide;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol;4,6-dichloro-2-methylpyrimidine;(E)-3-ethoxyprop-2-enoyl chloride;oxolane;2-piperazin-1-ylethanol;thiourea;hydroiodide.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-6-methylphenyl)ethanone;azane;2-chloro-6-methylaniline;N-(2-chloro-6-methylphenyl)butanamide;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol;4,6-dichloro-2-methylpyrimidine;(E)-3-ethoxyprop-2-enoyl chloride;oxolane;2-piperazin-1-ylethanol;thiourea;hydroiodide
PubChem CID162044106
Molecular FormulaC85H118Cl8IN21O9S3
Molecular Weight2084.75 g/mol
Exact Mass2079.51
IUPAC Name1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-6-methylphenyl)ethanone;azane;2-chloro-6-methylaniline;N-(2-chloro-6-methylphenyl)butanamide;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol;4,6-dichloro-2-methylpyrimidine;(E)-3-ethoxyprop-2-enoyl chloride;oxolane;2-piperazin-1-ylethanol;thiourea;hydroiodide
SMILESC1CCOC1.CCCC(=O)Nc1c(C)cccc1Cl.CCO/C=C/C(=O)Cl.Cc1cccc(Cl)c1CC(=O)c1cnc(N)s1.Cc1cccc(Cl)c1N.Cc1nc(Cl)cc(Cl)n1.Cc1nc(Cl)cc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ncc(C(=O)Cc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1.I.N.NC(N)=S.OCCN1CCNCC1
InChIInChI=1S/C23H27ClN6O2S.C12H11ClN2OS.C11H17ClN4O.C11H14ClNO.C7H8ClN.C6H14N2O.C5H4Cl2N2.C5H7ClO2.C4H8O.CH4N2S.HI.H3N/c1-15-4-3-5-18(24)17(15)12-19(32)20-14-25-23(33-20)28-21-13-22(27-16(2)26-21)30-8-6-29(7-9-30)10-11-31;1-7-3-2-4-9(13)8(7)5-10(16)11-6-15-12(14)17-11;1-9-13-10(12)8-11(14-9)16-4-2-15(3-5-16)6-7-17;1-3-5-10(14)13-11-8(2)6-4-7-9(11)12;1-5-3-2-4-6(8)7(5)9;9-6-5-8-3-1-7-2-4-8;1-3-8-4(6)2-5(7)9-3;1-2-8-4-3-5(6)7;1-2-4-5-3-1;2-1(3)4;;/h3-5,13-14,31H,6-12H2,1-2H3,(H,25,26,27,28);2-4,6H,5H2,1H3,(H2,14,15);8,17H,2-7H2,1H3;4,6-7H,3,5H2,1-2H3,(H,13,14);2-4H,9H2,1H3;7,9H,1-6H2;2H,1H3;3-4H,2H2,1H3;1-4H2;(H4,2,3,4);1H;1H3/b;;;;;;;4-3+;;;;
InChIKeyYVFKEGUACBBVCC-XMHYHFGSSA-N
XLogP15.81
TPSA441.92 Ų
H-Bond Donors11
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002084.75
LogP ≤ 515.81
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-6-methylphenyl)ethanone;azane;2-chloro-6-methylaniline;N-(2-chloro-6-methylphenyl)butanamide;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol;4,6-dichloro-2-methylpyrimidine;(E)-3-ethoxyprop-2-enoyl chloride;oxolane;2-piperazin-1-ylethanol;thiourea;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-chloro-6-methylaniline;N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)propanamide;1-(dimethylaminomethylidene)-3-methylthiourea;methane;2-methyl-4,6-dihydropyrimidine-4,6-diide;2-piperazin-1-ylethanol;propan-1-one;tris(yttrium);hydroiodide
CID 158531902
N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;methane
CID 24795068
1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-4-deuterio-6-methylphenyl)ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;4,6-dichloro-2-methylpyrimidine;piperidine
CID 162062132
2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-[2-[2-[2-[2-[2-[2-[4-[6-[[5-[2-(2-chloro-6-methylphenyl)acetyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone
CID 160895485
2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl N-(2-methoxyethyl)carbamate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 161360229
N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-methylformamide
CID 56640790
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;ethane
CID 144702960
ethyl 4-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]butanoate
CID 87205523
ethyl 6-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]hexanoate
CID 87205495
N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[hydroxy(dimethyl)silyl]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 164792990
2-[[6-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
CID 90367547
N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 123321796

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-6-methylphenyl)ethanone;azane;2-chloro-6-methylaniline;N-(2-chloro-6-methylphenyl)butanamide;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol;4,6-dichloro-2-methylpyrimidine;(E)-3-ethoxyprop-2-enoyl chloride;oxolane;2-piperazin-1-ylethanol;thiourea;hydroiodide?
The IUPAC name of 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-6-methylphenyl)ethanone;azane;2-chloro-6-methylaniline;N-(2-chloro-6-methylphenyl)butanamide;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol;4,6-dichloro-2-methylpyrimidine;(E)-3-ethoxyprop-2-enoyl chloride;oxolane;2-piperazin-1-ylethanol;thiourea;hydroiodide (CID 162044106) is 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-6-methylphenyl)ethanone;azane;2-chloro-6-methylaniline;N-(2-chloro-6-methylphenyl)butanamide;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol;4,6-dichloro-2-methylpyrimidine;(E)-3-ethoxyprop-2-enoyl chloride;oxolane;2-piperazin-1-ylethanol;thiourea;hydroiodide.
What is the SMILES notation for 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-6-methylphenyl)ethanone;azane;2-chloro-6-methylaniline;N-(2-chloro-6-methylphenyl)butanamide;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol;4,6-dichloro-2-methylpyrimidine;(E)-3-ethoxyprop-2-enoyl chloride;oxolane;2-piperazin-1-ylethanol;thiourea;hydroiodide?
The canonical SMILES for 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-6-methylphenyl)ethanone;azane;2-chloro-6-methylaniline;N-(2-chloro-6-methylphenyl)butanamide;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol;4,6-dichloro-2-methylpyrimidine;(E)-3-ethoxyprop-2-enoyl chloride;oxolane;2-piperazin-1-ylethanol;thiourea;hydroiodide is C1CCOC1.CCCC(=O)Nc1c(C)cccc1Cl.CCO/C=C/C(=O)Cl.Cc1cccc(Cl)c1CC(=O)c1cnc(N)s1.Cc1cccc(Cl)c1N.Cc1nc(Cl)cc(Cl)n1.Cc1nc(Cl)cc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ncc(C(=O)Cc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1.I.N.NC(N)=S.OCCN1CCNCC1.
What is the InChIKey of 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-6-methylphenyl)ethanone;azane;2-chloro-6-methylaniline;N-(2-chloro-6-methylphenyl)butanamide;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol;4,6-dichloro-2-methylpyrimidine;(E)-3-ethoxyprop-2-enoyl chloride;oxolane;2-piperazin-1-ylethanol;thiourea;hydroiodide?
The InChIKey is YVFKEGUACBBVCC-XMHYHFGSSA-N. The full InChI is InChI=1S/C23H27ClN6O2S.C12H11ClN2OS.C11H17ClN4O.C11H14ClNO.C7H8ClN.C6H14N2O.C5H4Cl2N2.C5H7ClO2.C4H8O.CH4N2S.HI.H3N/c1-15-4-3-5-18(24)17(15)12-19(32)20-14-25-23(33-20)28-21-13-22(27-16(2)26-21)30-8-6-29(7-9-30)10-11-31;1-7-3-2-4-9(13)8(7)5-10(16)11-6-15-12(14)17-11;1-9-13-10(12)8-11(14-9)16-4-2-15(3-5-16)6-7-17;1-3-5-10(14)13-11-8(2)6-4-7-9(11)12;1-5-3-2-4-6(8)7(5)9;9-6-5-8-3-1-7-2-4-8;1-3-8-4(6)2-5(7)9-3;1-2-8-4-3-5(6)7;1-2-4-5-3-1;2-1(3)4;;/h3-5,13-14,31H,6-12H2,1-2H3,(H,25,26,27,28);2-4,6H,5H2,1H3,(H2,14,15);8,17H,2-7H2,1H3;4,6-7H,3,5H2,1-2H3,(H,13,14);2-4H,9H2,1H3;7,9H,1-6H2;2H,1H3;3-4H,2H2,1H3;1-4H2;(H4,2,3,4);1H;1H3/b;;;;;;;4-3+;;;;.
What are the key properties of 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-6-methylphenyl)ethanone;azane;2-chloro-6-methylaniline;N-(2-chloro-6-methylphenyl)butanamide;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol;4,6-dichloro-2-methylpyrimidine;(E)-3-ethoxyprop-2-enoyl chloride;oxolane;2-piperazin-1-ylethanol;thiourea;hydroiodide?
1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-6-methylphenyl)ethanone;azane;2-chloro-6-methylaniline;N-(2-chloro-6-methylphenyl)butanamide;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol;4,6-dichloro-2-methylpyrimidine;(E)-3-ethoxyprop-2-enoyl chloride;oxolane;2-piperazin-1-ylethanol;thiourea;hydroiodide has a molecular weight of 2084.75 g/mol, XLogP of 15.81, 22 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-6-methylphenyl)ethanone;azane;2-chloro-6-methylaniline;N-(2-chloro-6-methylphenyl)butanamide;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol;4,6-dichloro-2-methylpyrimidine;(E)-3-ethoxyprop-2-enoyl chloride;oxolane;2-piperazin-1-ylethanol;thiourea;hydroiodide is sourced from PubChem (CID 162044106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).