N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine;6-N-(2-aminoethyl)-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;6-N-[2-(dimethylamino)ethyl]-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;N-[6-(2-piperidin-1-ylethoxy)-5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine

C84H79F12N29O2 — CID 160791307

IUPACN-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine;6-N-(2-aminoethyl)-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;6-N-[2-(dimethylamino)ethyl]-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;N-[6-(2-piperidin-1-ylethoxy)-5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine
SMILESCN(C)CCNc1nnc(Nc2n[nH]c3ccccc23)nc1-c1ccccc1C(F)(F)F.FC(F)(F)c1ccccc1-c1cc(Nc2n[nH]c3ccccc23)nnc1OCCN1CCCCC1.NCCNc1nnc(Nc2n[nH]c3ccccc23)nc1-c1ccccc1C(F)(F)F.NCCOc1nnc(Nc2n[nH]c3ccccc23)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C25H25F3N6O.C21H21F3N8.C19H17F3N8.C19H16F3N7O/c26-25(27,28)20-10-4-2-8-17(20)19-16-22(29-23-18-9-3-5-11-21(18)30-32-23)31-33-24(19)35-15-14-34-12-6-1-7-13-34;1-32(2)12-11-25-19-17(13-7-3-5-9-15(13)21(22,23)24)26-20(31-30-19)27-18-14-8-4-6-10-16(14)28-29-18;20-19(21,22)13-7-3-1-5-11(13)15-17(24-10-9-23)29-30-18(25-15)26-16-12-6-2-4-8-14(12)27-28-16;20-19(21,22)13-7-3-1-5-11(13)15-17(30-10-9-23)28-29-18(24-15)25-16-12-6-2-4-8-14(12)26-27-16/h2-5,8-11,16H,1,6-7,12-15H2,(H2,29,30,31,32);3-10H,11-12H2,1-2H3,(H,25,30)(H2,26,27,28,29,31);1-8H,9-10,23H2,(H,24,29)(H2,25,26,27,28,30);1-8H,9-10,23H2,(H2,24,25,26,27,29)
InChIKeySBVYSZYJVSKFOR-UHFFFAOYSA-N
MW1754.73 g/mol
LogP16.86
Rot. Bonds26

About N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine;6-N-(2-aminoethyl)-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;6-N-[2-(dimethylamino)ethyl]-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;N-[6-(2-piperidin-1-ylethoxy)-5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine

N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine;6-N-(2-aminoethyl)-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;6-N-[2-(dimethylamino)ethyl]-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;N-[6-(2-piperidin-1-ylethoxy)-5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine (PubChem CID 160791307) has the molecular formula C84H79F12N29O2 and a molecular weight of 1754.73 g/mol. Its IUPAC name is N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine;6-N-(2-aminoethyl)-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;6-N-[2-(dimethylamino)ethyl]-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;N-[6-(2-piperidin-1-ylethoxy)-5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine;6-N-(2-aminoethyl)-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;6-N-[2-(dimethylamino)ethyl]-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;N-[6-(2-piperidin-1-ylethoxy)-5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine
PubChem CID160791307
Molecular FormulaC84H79F12N29O2
Molecular Weight1754.73 g/mol
Exact Mass1753.68
IUPAC NameN-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine;6-N-(2-aminoethyl)-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;6-N-[2-(dimethylamino)ethyl]-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;N-[6-(2-piperidin-1-ylethoxy)-5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine
SMILESCN(C)CCNc1nnc(Nc2n[nH]c3ccccc23)nc1-c1ccccc1C(F)(F)F.FC(F)(F)c1ccccc1-c1cc(Nc2n[nH]c3ccccc23)nnc1OCCN1CCCCC1.NCCNc1nnc(Nc2n[nH]c3ccccc23)nc1-c1ccccc1C(F)(F)F.NCCOc1nnc(Nc2n[nH]c3ccccc23)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C25H25F3N6O.C21H21F3N8.C19H17F3N8.C19H16F3N7O/c26-25(27,28)20-10-4-2-8-17(20)19-16-22(29-23-18-9-3-5-11-21(18)30-32-23)31-33-24(19)35-15-14-34-12-6-1-7-13-34;1-32(2)12-11-25-19-17(13-7-3-5-9-15(13)21(22,23)24)26-20(31-30-19)27-18-14-8-4-6-10-16(14)28-29-18;20-19(21,22)13-7-3-1-5-11(13)15-17(24-10-9-23)29-30-18(25-15)26-16-12-6-2-4-8-14(12)27-28-16;20-19(21,22)13-7-3-1-5-11(13)15-17(30-10-9-23)28-29-18(24-15)25-16-12-6-2-4-8-14(12)26-27-16/h2-5,8-11,16H,1,6-7,12-15H2,(H2,29,30,31,32);3-10H,11-12H2,1-2H3,(H,25,30)(H2,26,27,28,29,31);1-8H,9-10,23H2,(H,24,29)(H2,25,26,27,28,30);1-8H,9-10,23H2,(H2,24,25,26,27,29)
InChIKeySBVYSZYJVSKFOR-UHFFFAOYSA-N
XLogP16.86
TPSA405.67 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001754.73
LogP ≤ 516.86
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Analyze N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine;6-N-(2-aminoethyl)-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;6-N-[2-(dimethylamino)ethyl]-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;N-[6-(2-piperidin-1-ylethoxy)-5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine with MolForge

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Related Compounds

2-[[2-[[[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]morpholin-2-yl]methylamino]methyl]-4-fluoro-1H-indol-5-yl]oxy]-6-(4-methylpiperazin-1-yl)-N-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 123772510
7-(2,2-difluoroethoxy)-8-[6-(3,5-difluorophenyl)-3-[[[7-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 143835060
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-[6-(1-methylpyrazol-4-yl)-3-[[[7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine
CID 143835140
6-N-[3-[2-[[4,7-difluoro-5-[4-(3-morpholin-4-ylpropylamino)-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]oxy-1H-indol-2-yl]methyl]morpholin-4-yl]propyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidine-4,6-diamine
CID 144622204
8-methoxy-6-[5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4-(trifluoromethyl)-1H-pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 156321462
2-(2-methylphenyl)-N-[[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]ethanamine;2-(3-methylphenyl)-N-[[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]ethanamine;2-(4-methylphenyl)-N-[[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]ethanamine
CID 157515584
N-[[6-(imidazo[2,1-a]phthalazin-6-yloxymethyl)-2-pyridinyl]methyl]-2-phenylethanamine;N-[[6-[(3-methylimidazo[5,1-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]-2-phenylethanamine;2-phenyl-N-[[6-[[2-(trifluoromethyl)imidazo[2,1-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]ethanamine;2-phenyl-N-[[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]ethanamine
CID 157803796
benzyl 3-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-methylpiperazine-1-carboxylate;1-[3-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[6-(1-methylpiperazin-2-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-piperazin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 158263370
CID 158439161
CID 158439161
2-(4-fluorophenyl)-N-[[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]ethanamine;1-phenyl-N-[[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]propan-2-amine;2-phenyl-N-[[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 158783917
N-[4-(2-aminoethoxy)-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]pyridine-2,4-diamine;N-[6-(2-chlorophenyl)-4-pyridin-4-yl-2-pyridinyl]-1H-indazol-3-amine;N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine
CID 159662450
8-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydrooxepino[3,2-d]pyrimidin-4-amine
CID 159766387

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine;6-N-(2-aminoethyl)-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;6-N-[2-(dimethylamino)ethyl]-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;N-[6-(2-piperidin-1-ylethoxy)-5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine?
The IUPAC name of N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine;6-N-(2-aminoethyl)-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;6-N-[2-(dimethylamino)ethyl]-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;N-[6-(2-piperidin-1-ylethoxy)-5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine (CID 160791307) is N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine;6-N-(2-aminoethyl)-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;6-N-[2-(dimethylamino)ethyl]-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;N-[6-(2-piperidin-1-ylethoxy)-5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine.
What is the SMILES notation for N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine;6-N-(2-aminoethyl)-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;6-N-[2-(dimethylamino)ethyl]-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;N-[6-(2-piperidin-1-ylethoxy)-5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine?
The canonical SMILES for N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine;6-N-(2-aminoethyl)-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;6-N-[2-(dimethylamino)ethyl]-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;N-[6-(2-piperidin-1-ylethoxy)-5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine is CN(C)CCNc1nnc(Nc2n[nH]c3ccccc23)nc1-c1ccccc1C(F)(F)F.FC(F)(F)c1ccccc1-c1cc(Nc2n[nH]c3ccccc23)nnc1OCCN1CCCCC1.NCCNc1nnc(Nc2n[nH]c3ccccc23)nc1-c1ccccc1C(F)(F)F.NCCOc1nnc(Nc2n[nH]c3ccccc23)nc1-c1ccccc1C(F)(F)F.
What is the InChIKey of N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine;6-N-(2-aminoethyl)-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;6-N-[2-(dimethylamino)ethyl]-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;N-[6-(2-piperidin-1-ylethoxy)-5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine?
The InChIKey is SBVYSZYJVSKFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6O.C21H21F3N8.C19H17F3N8.C19H16F3N7O/c26-25(27,28)20-10-4-2-8-17(20)19-16-22(29-23-18-9-3-5-11-21(18)30-32-23)31-33-24(19)35-15-14-34-12-6-1-7-13-34;1-32(2)12-11-25-19-17(13-7-3-5-9-15(13)21(22,23)24)26-20(31-30-19)27-18-14-8-4-6-10-16(14)28-29-18;20-19(21,22)13-7-3-1-5-11(13)15-17(24-10-9-23)29-30-18(25-15)26-16-12-6-2-4-8-14(12)27-28-16;20-19(21,22)13-7-3-1-5-11(13)15-17(30-10-9-23)28-29-18(24-15)25-16-12-6-2-4-8-14(12)26-27-16/h2-5,8-11,16H,1,6-7,12-15H2,(H2,29,30,31,32);3-10H,11-12H2,1-2H3,(H,25,30)(H2,26,27,28,29,31);1-8H,9-10,23H2,(H,24,29)(H2,25,26,27,28,30);1-8H,9-10,23H2,(H2,24,25,26,27,29).
What are the key properties of N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine;6-N-(2-aminoethyl)-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;6-N-[2-(dimethylamino)ethyl]-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;N-[6-(2-piperidin-1-ylethoxy)-5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine?
N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine;6-N-(2-aminoethyl)-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;6-N-[2-(dimethylamino)ethyl]-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;N-[6-(2-piperidin-1-ylethoxy)-5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine has a molecular weight of 1754.73 g/mol, XLogP of 16.86, 26 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine;6-N-(2-aminoethyl)-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;6-N-[2-(dimethylamino)ethyl]-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;N-[6-(2-piperidin-1-ylethoxy)-5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine is sourced from PubChem (CID 160791307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).