5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroisoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;4-chloro-7H-cyclopenta[d]pyrimidine;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-7H-cyclopenta[d]pyrimidin-4-amine;2-[(4-methoxyphenyl)methyl]-5-[4-[(4-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-3H-isoindol-1-one

C92H91BrClN17O8 — CID 158153343

IUPAC5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroisoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;4-chloro-7H-cyclopenta[d]pyrimidine;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-7H-cyclopenta[d]pyrimidin-4-amine;2-[(4-methoxyphenyl)methyl]-5-[4-[(4-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-3H-isoindol-1-one
SMILESC.C.COc1ccc(CN)cc1.COc1ccc(CN2Cc3cc(Br)ccc3C2=O)cc1.COc1ccc(CNc2ncnc3c2C=CC3)cc1.COc1ccc(CNc2ncnc3c2ccn3-c2ccc3c(c2)CN(Cc2ccc(OC)cc2)C3=O)cc1.Clc1ncnc2c1C=CC2.Nc1ncnc2c1ccn2-c1ccc2c(c1)CNC2=O
InChIInChI=1S/C30H27N5O3.C16H14BrNO2.C15H15N3O.C14H11N5O.C8H11NO.C7H5ClN2.2CH4/c1-37-24-8-3-20(4-9-24)16-31-28-27-13-14-35(29(27)33-19-32-28)23-7-12-26-22(15-23)18-34(30(26)36)17-21-5-10-25(38-2)11-6-21;1-20-14-5-2-11(3-6-14)9-18-10-12-8-13(17)4-7-15(12)16(18)19;1-19-12-7-5-11(6-8-12)9-16-15-13-3-2-4-14(13)17-10-18-15;15-12-11-3-4-19(13(11)18-7-17-12)9-1-2-10-8(5-9)6-16-14(10)20;1-10-8-4-2-7(6-9)3-5-8;8-7-5-2-1-3-6(5)9-4-10-7;;/h3-15,19H,16-18H2,1-2H3,(H,31,32,33);2-8H,9-10H2,1H3;2-3,5-8,10H,4,9H2,1H3,(H,16,17,18);1-5,7H,6H2,(H,16,20)(H2,15,17,18);2-5H,6,9H2,1H3;1-2,4H,3H2;2*1H4
InChIKeyFVJRWBMJYCQXMH-UHFFFAOYSA-N
MW1678.21 g/mol
LogP16.86
Rot. Bonds18

About 5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroisoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;4-chloro-7H-cyclopenta[d]pyrimidine;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-7H-cyclopenta[d]pyrimidin-4-amine;2-[(4-methoxyphenyl)methyl]-5-[4-[(4-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-3H-isoindol-1-one

5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroisoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;4-chloro-7H-cyclopenta[d]pyrimidine;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-7H-cyclopenta[d]pyrimidin-4-amine;2-[(4-methoxyphenyl)methyl]-5-[4-[(4-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-3H-isoindol-1-one (PubChem CID 158153343) has the molecular formula C92H91BrClN17O8 and a molecular weight of 1678.21 g/mol. Its IUPAC name is 5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroisoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;4-chloro-7H-cyclopenta[d]pyrimidine;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-7H-cyclopenta[d]pyrimidin-4-amine;2-[(4-methoxyphenyl)methyl]-5-[4-[(4-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroisoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;4-chloro-7H-cyclopenta[d]pyrimidine;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-7H-cyclopenta[d]pyrimidin-4-amine;2-[(4-methoxyphenyl)methyl]-5-[4-[(4-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-3H-isoindol-1-one
PubChem CID158153343
Molecular FormulaC92H91BrClN17O8
Molecular Weight1678.21 g/mol
Exact Mass1675.61
IUPAC Name5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroisoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;4-chloro-7H-cyclopenta[d]pyrimidine;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-7H-cyclopenta[d]pyrimidin-4-amine;2-[(4-methoxyphenyl)methyl]-5-[4-[(4-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-3H-isoindol-1-one
SMILESC.C.COc1ccc(CN)cc1.COc1ccc(CN2Cc3cc(Br)ccc3C2=O)cc1.COc1ccc(CNc2ncnc3c2C=CC3)cc1.COc1ccc(CNc2ncnc3c2ccn3-c2ccc3c(c2)CN(Cc2ccc(OC)cc2)C3=O)cc1.Clc1ncnc2c1C=CC2.Nc1ncnc2c1ccn2-c1ccc2c(c1)CNC2=O
InChIInChI=1S/C30H27N5O3.C16H14BrNO2.C15H15N3O.C14H11N5O.C8H11NO.C7H5ClN2.2CH4/c1-37-24-8-3-20(4-9-24)16-31-28-27-13-14-35(29(27)33-19-32-28)23-7-12-26-22(15-23)18-34(30(26)36)17-21-5-10-25(38-2)11-6-21;1-20-14-5-2-11(3-6-14)9-18-10-12-8-13(17)4-7-15(12)16(18)19;1-19-12-7-5-11(6-8-12)9-16-15-13-3-2-4-14(13)17-10-18-15;15-12-11-3-4-19(13(11)18-7-17-12)9-1-2-10-8(5-9)6-16-14(10)20;1-10-8-4-2-7(6-9)3-5-8;8-7-5-2-1-3-6(5)9-4-10-7;;/h3-15,19H,16-18H2,1-2H3,(H,31,32,33);2-8H,9-10H2,1H3;2-3,5-8,10H,4,9H2,1H3,(H,16,17,18);1-5,7H,6H2,(H,16,20)(H2,15,17,18);2-5H,6,9H2,1H3;1-2,4H,3H2;2*1H4
InChIKeyFVJRWBMJYCQXMH-UHFFFAOYSA-N
XLogP16.86
TPSA304.95 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001678.21
LogP ≤ 516.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze 5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroisoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;4-chloro-7H-cyclopenta[d]pyrimidine;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-7H-cyclopenta[d]pyrimidin-4-amine;2-[(4-methoxyphenyl)methyl]-5-[4-[(4-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-3H-isoindol-1-one with MolForge

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Related Compounds

sodium;5'-[(6-amino-5-methylpyrimidin-4-yl)amino]-2'-[(4-methoxyphenyl)methyl]-7'-(trifluoromethyl)spiro[cyclohexane-1,3'-isoindole]-1'-one;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-7-(trifluoromethyl)spiro[2H-isoindole-3,1'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;5-bromo-2-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-3H-isoindol-1-one;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-(trifluoromethyl)spiro[cyclohexane-1,3'-isoindole]-1'-one;methane;N-[6-[[2'-[(4-methoxyphenyl)methyl]-1'-oxo-7'-(trifluoromethyl)spiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;hydroxide
CID 160011970
tris(6-[(2-amino-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one);6'-chloro-2'-[(4-methoxyphenyl)methyl]-4'-methylspiro[cyclohexane-1,1'-pyrrolo[3,4-c]pyridine]-3'-one;2-chloro-3-methylpyridin-4-amine;6-[(2-chloro-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one
CID 157057062
N-(6-aminopyrimidin-4-yl)acetamide;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;tert-butyl N-(6-acetamidopyrimidin-4-yl)carbamate;tert-butyl N-(6-chloropyrimidin-4-yl)carbamate;6-chloropyrimidin-4-amine;N-[6-[[2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindol-5-yl]amino]pyrimidin-4-yl]acetamide;bis(N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]acetamide);oxolane;hydrochloride
CID 157074141
1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;4-[(3-chlorophenyl)methyl]pyrimidin-2-amine;1-(2,6-diaminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]indole-4-carboxamide;methane;sulfane
CID 157129565
5'-bromo-7'-chloro-2'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-1,3'-isoindole]-1'-one;7'-chloro-2'-[(4-methoxyphenyl)methyl]-5'-(pyrimidin-4-ylamino)spiro[cyclohexane-1,3'-isoindole]-1'-one;bis(7-chloro-5-(pyrimidin-4-ylamino)spiro[2H-isoindole-3,1'-cyclohexane]-1-one);pyrimidin-4-amine
CID 157171723
bis(5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroisoindol-1-one);5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;4-chloro-7H-cyclopenta[d]pyrimidine;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-7H-cyclopenta[d]pyrimidin-4-amine;2-[(4-methoxyphenyl)methyl]-5-[4-[(4-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-3H-isoindol-1-one
CID 157180306
4-aminopyrimidine-5-carbonitrile;5-bromo-2-[(4-methoxyphenyl)methyl]-1',7-dimethylspiro[isoindole-3,4'-piperidine]-1-one;bis(4-[(1',7-dimethyl-1-oxospiro[2H-isoindole-3,4'-piperidine]-5-yl)amino]pyrimidine-5-carbonitrile);4-[[2-[(4-methoxyphenyl)methyl]-1',7-dimethyl-1-oxospiro[isoindole-3,4'-piperidine]-5-yl]amino]pyrimidine-5-carbonitrile
CID 157193390
5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;tert-butyl carbamate;tert-butyl N-[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]carbamate;4-chloro-6-methylpyrimidine;2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one;methane;methanol;3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-2,3-dihydroisoindol-1-one
CID 157283797
5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;2-[(4-methoxyphenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3H-isoindol-1-one;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroisoindol-1-one
CID 157343135
5'-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-7'-chloro-2'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-1,3'-isoindole]-1'-one;bis(5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-7-chlorospiro[2H-isoindole-3,1'-cyclohexane]-1-one);5-bromo-7-chloro-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;5'-bromo-7'-chloro-2'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-1,3'-isoindole]-1'-one;7H-cyclopenta[d]pyrimidin-4-amine;1,5-diiodopentane
CID 157379808
5-bromo-7-chloro-2-[(4-methoxyphenyl)methyl]-3,3-dimethylisoindol-1-one;5-bromo-7-chloro-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;bis(7-chloro-3,3-dimethyl-5-(pyrimidin-4-ylamino)-2H-isoindol-1-one);7-chloro-2-[(4-methoxyphenyl)methyl]-3,3-dimethyl-5-(pyrimidin-4-ylamino)isoindol-1-one;pyrimidin-4-amine
CID 157486419
2-chloro-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methoxyphenyl)methyl]-2-pyrrolo[2,3-d]pyrimidin-7-yl-7H-pyrrolo[3,4-b]pyridin-5-one;7H-pyrrolo[2,3-d]pyrimidine;bis(2-pyrrolo[2,3-d]pyrimidin-7-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one)
CID 157491078

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroisoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;4-chloro-7H-cyclopenta[d]pyrimidine;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-7H-cyclopenta[d]pyrimidin-4-amine;2-[(4-methoxyphenyl)methyl]-5-[4-[(4-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-3H-isoindol-1-one?
The IUPAC name of 5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroisoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;4-chloro-7H-cyclopenta[d]pyrimidine;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-7H-cyclopenta[d]pyrimidin-4-amine;2-[(4-methoxyphenyl)methyl]-5-[4-[(4-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-3H-isoindol-1-one (CID 158153343) is 5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroisoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;4-chloro-7H-cyclopenta[d]pyrimidine;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-7H-cyclopenta[d]pyrimidin-4-amine;2-[(4-methoxyphenyl)methyl]-5-[4-[(4-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-3H-isoindol-1-one.
What is the SMILES notation for 5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroisoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;4-chloro-7H-cyclopenta[d]pyrimidine;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-7H-cyclopenta[d]pyrimidin-4-amine;2-[(4-methoxyphenyl)methyl]-5-[4-[(4-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-3H-isoindol-1-one?
The canonical SMILES for 5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroisoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;4-chloro-7H-cyclopenta[d]pyrimidine;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-7H-cyclopenta[d]pyrimidin-4-amine;2-[(4-methoxyphenyl)methyl]-5-[4-[(4-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-3H-isoindol-1-one is C.C.COc1ccc(CN)cc1.COc1ccc(CN2Cc3cc(Br)ccc3C2=O)cc1.COc1ccc(CNc2ncnc3c2C=CC3)cc1.COc1ccc(CNc2ncnc3c2ccn3-c2ccc3c(c2)CN(Cc2ccc(OC)cc2)C3=O)cc1.Clc1ncnc2c1C=CC2.Nc1ncnc2c1ccn2-c1ccc2c(c1)CNC2=O.
What is the InChIKey of 5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroisoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;4-chloro-7H-cyclopenta[d]pyrimidine;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-7H-cyclopenta[d]pyrimidin-4-amine;2-[(4-methoxyphenyl)methyl]-5-[4-[(4-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-3H-isoindol-1-one?
The InChIKey is FVJRWBMJYCQXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O3.C16H14BrNO2.C15H15N3O.C14H11N5O.C8H11NO.C7H5ClN2.2CH4/c1-37-24-8-3-20(4-9-24)16-31-28-27-13-14-35(29(27)33-19-32-28)23-7-12-26-22(15-23)18-34(30(26)36)17-21-5-10-25(38-2)11-6-21;1-20-14-5-2-11(3-6-14)9-18-10-12-8-13(17)4-7-15(12)16(18)19;1-19-12-7-5-11(6-8-12)9-16-15-13-3-2-4-14(13)17-10-18-15;15-12-11-3-4-19(13(11)18-7-17-12)9-1-2-10-8(5-9)6-16-14(10)20;1-10-8-4-2-7(6-9)3-5-8;8-7-5-2-1-3-6(5)9-4-10-7;;/h3-15,19H,16-18H2,1-2H3,(H,31,32,33);2-8H,9-10H2,1H3;2-3,5-8,10H,4,9H2,1H3,(H,16,17,18);1-5,7H,6H2,(H,16,20)(H2,15,17,18);2-5H,6,9H2,1H3;1-2,4H,3H2;2*1H4.
What are the key properties of 5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroisoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;4-chloro-7H-cyclopenta[d]pyrimidine;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-7H-cyclopenta[d]pyrimidin-4-amine;2-[(4-methoxyphenyl)methyl]-5-[4-[(4-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-3H-isoindol-1-one?
5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroisoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;4-chloro-7H-cyclopenta[d]pyrimidine;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-7H-cyclopenta[d]pyrimidin-4-amine;2-[(4-methoxyphenyl)methyl]-5-[4-[(4-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-3H-isoindol-1-one has a molecular weight of 1678.21 g/mol, XLogP of 16.86, 18 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroisoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;4-chloro-7H-cyclopenta[d]pyrimidine;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-7H-cyclopenta[d]pyrimidin-4-amine;2-[(4-methoxyphenyl)methyl]-5-[4-[(4-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-3H-isoindol-1-one is sourced from PubChem (CID 158153343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).