8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;methanol;methyl 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate;methyl 8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate

C84H98F4N18O12 — CID 159502530

IUPAC8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;methanol;methyl 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate;methyl 8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate
SMILESCO.CO.COC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCO[C@@H](C)C3)c(F)c2n1.COC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCO[C@H](C)C3)c(F)c2n1.C[C@@H]1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)CCO1.C[C@H]1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)CCO1
InChIInChI=1S/2C21H23FN4O3.2C20H22FN5O2.2CH4O/c2*1-13-10-26(6-7-29-13)12-14-4-5-16-17(15-9-23-25(2)11-15)8-18(21(27)28-3)24-20(16)19(14)22;2*1-12-9-26(5-6-28-12)11-13-3-4-15-16(14-8-23-25(2)10-14)7-17(20(22)27)24-19(15)18(13)21;2*1-2/h2*4-5,8-9,11,13H,6-7,10,12H2,1-3H3;2*3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H2,22,27);2*2H,1H3/t2*13-;2*12-;;/m1010../s1
InChIKeyLZOLIMDOJACBHQ-NXVPMLKQSA-N
MW1627.81 g/mol
LogP8.97
Rot. Bonds16

About 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;methanol;methyl 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate;methyl 8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate

8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;methanol;methyl 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate;methyl 8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate (PubChem CID 159502530) has the molecular formula C84H98F4N18O12 and a molecular weight of 1627.81 g/mol. Its IUPAC name is 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;methanol;methyl 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate;methyl 8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate.

Molecular Properties

Compound Name8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;methanol;methyl 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate;methyl 8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate
PubChem CID159502530
Molecular FormulaC84H98F4N18O12
Molecular Weight1627.81 g/mol
Exact Mass1626.75
IUPAC Name8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;methanol;methyl 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate;methyl 8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate
SMILESCO.CO.COC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCO[C@@H](C)C3)c(F)c2n1.COC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCO[C@H](C)C3)c(F)c2n1.C[C@@H]1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)CCO1.C[C@H]1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)CCO1
InChIInChI=1S/2C21H23FN4O3.2C20H22FN5O2.2CH4O/c2*1-13-10-26(6-7-29-13)12-14-4-5-16-17(15-9-23-25(2)11-15)8-18(21(27)28-3)24-20(16)19(14)22;2*1-12-9-26(5-6-28-12)11-13-3-4-15-16(14-8-23-25(2)10-14)7-17(20(22)27)24-19(15)18(13)21;2*1-2/h2*4-5,8-9,11,13H,6-7,10,12H2,1-3H3;2*3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H2,22,27);2*2H,1H3/t2*13-;2*12-;;/m1010../s1
InChIKeyLZOLIMDOJACBHQ-NXVPMLKQSA-N
XLogP8.97
TPSA351.96 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001627.81
LogP ≤ 58.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;methanol;methyl 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate;methyl 8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate with MolForge

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Related Compounds

methyl 8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxylate
CID 89554960
methyl 8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxylate
CID 89554970
Methyl 8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxylate
CID 117641961
7-[(3,3-Difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 157085775
Ethyl 1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]pyrazole-4-carboxylate;ethyl 1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylate;methyl 1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate;methyl 3-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate
CID 157155793
7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-(1,3-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;1-[7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)quinolin-2-yl]ethanone
CID 157273223
1-[7-[(4-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1H-pyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone
CID 157427987
1-[7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinolin-2-yl]ethanone;1-[7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[2-(2,2,2-trifluoroethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinolin-2-yl]ethanone
CID 158169273
7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5S)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 158322017
7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;7-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)thiomorpholin-4-yl]methyl]quinoline-2-carboxamide
CID 158417586
1-[4-(1-Cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 158519947
7-[(3,3-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-oxa-8-azaspiro[4.5]decan-8-ylmethyl)quinoline-2-carboxamide;7-[[(3S)-3-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 158722661

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;methanol;methyl 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate;methyl 8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate?
The IUPAC name of 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;methanol;methyl 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate;methyl 8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate (CID 159502530) is 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;methanol;methyl 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate;methyl 8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate.
What is the SMILES notation for 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;methanol;methyl 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate;methyl 8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate?
The canonical SMILES for 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;methanol;methyl 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate;methyl 8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate is CO.CO.COC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCO[C@@H](C)C3)c(F)c2n1.COC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCO[C@H](C)C3)c(F)c2n1.C[C@@H]1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)CCO1.C[C@H]1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)CCO1.
What is the InChIKey of 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;methanol;methyl 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate;methyl 8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate?
The InChIKey is LZOLIMDOJACBHQ-NXVPMLKQSA-N. The full InChI is InChI=1S/2C21H23FN4O3.2C20H22FN5O2.2CH4O/c2*1-13-10-26(6-7-29-13)12-14-4-5-16-17(15-9-23-25(2)11-15)8-18(21(27)28-3)24-20(16)19(14)22;2*1-12-9-26(5-6-28-12)11-13-3-4-15-16(14-8-23-25(2)10-14)7-17(20(22)27)24-19(15)18(13)21;2*1-2/h2*4-5,8-9,11,13H,6-7,10,12H2,1-3H3;2*3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H2,22,27);2*2H,1H3/t2*13-;2*12-;;/m1010../s1.
What are the key properties of 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;methanol;methyl 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate;methyl 8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate?
8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;methanol;methyl 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate;methyl 8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate has a molecular weight of 1627.81 g/mol, XLogP of 8.97, 16 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;methanol;methyl 8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate;methyl 8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxylate is sourced from PubChem (CID 159502530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).