N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)thiophene-2-carboxamide;bis(N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide)

C98H117N19O19S2 — CID 159410344

IUPACN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)thiophene-2-carboxamide;bis(N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide)
SMILESCC1(C)Cc2cc(NC(=O)c3cccs3)c(N3CCOCC3)cc2O1.CC1(C)Cc2cc(NC(=O)c3ccnc(S(C)(=O)=O)n3)c(N3CCOCC3)cc2O1.CC1(C)Cc2cc(NC(=O)c3cnc4cccnn34)c(N3CCOCC3)cc2O1.Cn1ccc(C(=O)Nc2cc3c(cc2N2CCOCC2)OC(C)(CO)C3)n1.Cn1ccc(C(=O)Nc2cc3c(cc2N2CCOCC2)OC(C)(CO)C3)n1
InChIInChI=1S/C21H23N5O3.C20H24N4O5S.2C19H24N4O4.C19H22N2O3S/c1-21(2)12-14-10-15(16(11-18(14)29-21)25-6-8-28-9-7-25)24-20(27)17-13-22-19-4-3-5-23-26(17)19;1-20(2)12-13-10-15(16(11-17(13)29-20)24-6-8-28-9-7-24)22-18(25)14-4-5-21-19(23-14)30(3,26)27;2*1-19(12-24)11-13-9-15(20-18(25)14-3-4-22(2)21-14)16(10-17(13)27-19)23-5-7-26-8-6-23;1-19(2)12-13-10-14(20-18(22)17-4-3-9-25-17)15(11-16(13)24-19)21-5-7-23-8-6-21/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,27);4-5,10-11H,6-9,12H2,1-3H3,(H,22,25);2*3-4,9-10,24H,5-8,11-12H2,1-2H3,(H,20,25);3-4,9-11H,5-8,12H2,1-2H3,(H,20,22)
InChIKeyLOMNFHYFSZYBKO-UHFFFAOYSA-N
MW1929.26 g/mol
LogP10.15
Rot. Bonds18

About N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)thiophene-2-carboxamide;bis(N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide)

N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)thiophene-2-carboxamide;bis(N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide) (PubChem CID 159410344) has the molecular formula C98H117N19O19S2 and a molecular weight of 1929.26 g/mol. Its IUPAC name is N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)thiophene-2-carboxamide;bis(N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide).

Molecular Properties

Compound NameN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)thiophene-2-carboxamide;bis(N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide)
PubChem CID159410344
Molecular FormulaC98H117N19O19S2
Molecular Weight1929.26 g/mol
Exact Mass1927.82
IUPAC NameN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)thiophene-2-carboxamide;bis(N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide)
SMILESCC1(C)Cc2cc(NC(=O)c3cccs3)c(N3CCOCC3)cc2O1.CC1(C)Cc2cc(NC(=O)c3ccnc(S(C)(=O)=O)n3)c(N3CCOCC3)cc2O1.CC1(C)Cc2cc(NC(=O)c3cnc4cccnn34)c(N3CCOCC3)cc2O1.Cn1ccc(C(=O)Nc2cc3c(cc2N2CCOCC2)OC(C)(CO)C3)n1.Cn1ccc(C(=O)Nc2cc3c(cc2N2CCOCC2)OC(C)(CO)C3)n1
InChIInChI=1S/C21H23N5O3.C20H24N4O5S.2C19H24N4O4.C19H22N2O3S/c1-21(2)12-14-10-15(16(11-18(14)29-21)25-6-8-28-9-7-25)24-20(27)17-13-22-19-4-3-5-23-26(17)19;1-20(2)12-13-10-15(16(11-17(13)29-20)24-6-8-28-9-7-24)22-18(25)14-4-5-21-19(23-14)30(3,26)27;2*1-19(12-24)11-13-9-15(20-18(25)14-3-4-22(2)21-14)16(10-17(13)27-19)23-5-7-26-8-6-23;1-19(2)12-13-10-14(20-18(22)17-4-3-9-25-17)15(11-16(13)24-19)21-5-7-23-8-6-21/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,27);4-5,10-11H,6-9,12H2,1-3H3,(H,22,25);2*3-4,9-10,24H,5-8,11-12H2,1-2H3,(H,20,25);3-4,9-11H,5-8,12H2,1-2H3,(H,20,22)
InChIKeyLOMNFHYFSZYBKO-UHFFFAOYSA-N
XLogP10.15
TPSA420.21 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds18
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001929.26
LogP ≤ 510.15
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Analyze N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)thiophene-2-carboxamide;bis(N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide) with MolForge

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Related Compounds

6-chloro-N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide;6-cyano-N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide;1-(2-cyano-4-pyridinyl)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazole-3-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]pyrazole-3-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyrazole-3-carboxamide
CID 158439811
2-[2-aminoethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide;N-[2-[4-(aminomethyl)piperidin-1-yl]-5-methylphenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(3-amino-3-oxopropyl)-2-phenyl-1,3-thiazole-4-carboxamide;methane;10-(2-morpholin-4-ylethyl)-3-thia-7,10,11,14,21,25-hexazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione
CID 159148425
4-amino-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-oxo-1H-pyridazine-3-carboxamide;N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 160238248
3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(5-methylpyrazin-2-yl)benzamide;3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide;3-[(2S)-1-hydroxypropan-2-yl]oxy-N-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-5-(5-methylsulfonylpyrazin-2-yl)oxybenzamide;methanesulfonic acid;1-[2-[6-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 160514265
N-tert-butyl-1-cyclopropylsulfonyl-7-methoxy-N-methyl-8-(2-methylpropyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;(3,3-dimethylmorpholin-4-yl)-[1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;(3,3-dimethylmorpholin-4-yl)-[1-(1,5-dimethylpyrazol-4-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;7-methoxy-8-(2-methylpropyl)-N-[2-methyl-1-(trideuteriomethoxy)propan-2-yl]-1-thiophen-2-yl-N-(trideuteriomethyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;[7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-[3-(trideuteriomethoxy)pyrrolidin-1-yl]methanone
CID 160633153
1-(2-acetamido-4-pyridinyl)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazole-3-carboxamide;6-chloro-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide;N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-3-methyltriazolo[4,5-c]pyridine-7-carboxamide;N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-3-methyltriazolo[4,5-c]pyridine-7-carboxamide
CID 161112950
3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(5-methylpyrazin-2-yl)benzamide;3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide;methanesulfonic acid;1-[2-[6-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone;(2S)-2-[3-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-5-(5-methylsulfonylpyrazin-2-yl)oxyphenoxy]propan-1-ol
CID 165015430
(3R)-3-(4-cyclopropylsulfonylphenyl)-4-(oxan-4-yl)-1-pyrazin-2-ylbutan-2-one;3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide;methanesulfonic acid;1-[2-[6-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone;(2S)-2-[3-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-5-(5-methylsulfonylpyrazin-2-yl)oxyphenoxy]propan-1-ol
CID 165055821

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)thiophene-2-carboxamide;bis(N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide)?
The IUPAC name of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)thiophene-2-carboxamide;bis(N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide) (CID 159410344) is N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)thiophene-2-carboxamide;bis(N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide).
What is the SMILES notation for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)thiophene-2-carboxamide;bis(N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide)?
The canonical SMILES for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)thiophene-2-carboxamide;bis(N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide) is CC1(C)Cc2cc(NC(=O)c3cccs3)c(N3CCOCC3)cc2O1.CC1(C)Cc2cc(NC(=O)c3ccnc(S(C)(=O)=O)n3)c(N3CCOCC3)cc2O1.CC1(C)Cc2cc(NC(=O)c3cnc4cccnn34)c(N3CCOCC3)cc2O1.Cn1ccc(C(=O)Nc2cc3c(cc2N2CCOCC2)OC(C)(CO)C3)n1.Cn1ccc(C(=O)Nc2cc3c(cc2N2CCOCC2)OC(C)(CO)C3)n1.
What is the InChIKey of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)thiophene-2-carboxamide;bis(N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide)?
The InChIKey is LOMNFHYFSZYBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3.C20H24N4O5S.2C19H24N4O4.C19H22N2O3S/c1-21(2)12-14-10-15(16(11-18(14)29-21)25-6-8-28-9-7-25)24-20(27)17-13-22-19-4-3-5-23-26(17)19;1-20(2)12-13-10-15(16(11-17(13)29-20)24-6-8-28-9-7-24)22-18(25)14-4-5-21-19(23-14)30(3,26)27;2*1-19(12-24)11-13-9-15(20-18(25)14-3-4-22(2)21-14)16(10-17(13)27-19)23-5-7-26-8-6-23;1-19(2)12-13-10-14(20-18(22)17-4-3-9-25-17)15(11-16(13)24-19)21-5-7-23-8-6-21/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,27);4-5,10-11H,6-9,12H2,1-3H3,(H,22,25);2*3-4,9-10,24H,5-8,11-12H2,1-2H3,(H,20,25);3-4,9-11H,5-8,12H2,1-2H3,(H,20,22).
What are the key properties of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)thiophene-2-carboxamide;bis(N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide)?
N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)thiophene-2-carboxamide;bis(N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide) has a molecular weight of 1929.26 g/mol, XLogP of 10.15, 18 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)thiophene-2-carboxamide;bis(N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide) is sourced from PubChem (CID 159410344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).