ethane;methane;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);2,3,5-tri(propan-2-yl)pyrazine;bis(1,3,4-tri(propan-2-yl)pyrazole);3,4,6-tri(propan-2-yl)pyridazine;2,3,6-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyrimidine;bis(2,4,5-tri(propan-2-yl)-1,3-thiazole);2,4,5-tri(propan-2-yl)triazole

C167H319N19O2S2 — CID 158746381

IUPACethane;methane;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);2,3,5-tri(propan-2-yl)pyrazine;bis(1,3,4-tri(propan-2-yl)pyrazole);3,4,6-tri(propan-2-yl)pyridazine;2,3,6-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyrimidine;bis(2,4,5-tri(propan-2-yl)-1,3-thiazole);2,4,5-tri(propan-2-yl)triazole
SMILESC.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC(C)c1cc(C(C)C)c(C(C)C)cn1.CC(C)c1cc(C(C)C)c(C(C)C)nn1.CC(C)c1ccc(C(C)C)c(C(C)C)n1.CC(C)c1cn(C(C)C)nc1C(C)C.CC(C)c1cn(C(C)C)nc1C(C)C.CC(C)c1cnc(C(C)C)c(C(C)C)n1.CC(C)c1nc(C(C)C)c(C(C)C)o1.CC(C)c1nc(C(C)C)c(C(C)C)o1.CC(C)c1nc(C(C)C)c(C(C)C)s1.CC(C)c1nc(C(C)C)c(C(C)C)s1.CC(C)c1ncc(C(C)C)c(C(C)C)n1.CC(C)c1nn(C(C)C)nc1C(C)C
InChIInChI=1S/2C14H23N.3C13H22N2.2C12H22N2.2C12H21NO.2C12H21NS.C11H21N3.5C2H6.7CH4/c1-9(2)12-7-14(11(5)6)15-8-13(12)10(3)4;1-9(2)12-7-8-13(10(3)4)15-14(12)11(5)6;1-8(2)11-7-14-12(9(3)4)13(15-11)10(5)6;1-8(2)11-7-14-13(10(5)6)15-12(11)9(3)4;1-8(2)11-7-12(9(3)4)14-15-13(11)10(5)6;2*1-8(2)11-7-14(10(5)6)13-12(11)9(3)4;4*1-7(2)10-11(8(3)4)14-12(13-10)9(5)6;1-7(2)10-11(8(3)4)13-14(12-10)9(5)6;5*1-2;;;;;;;/h2*7-11H,1-6H3;3*7-10H,1-6H3;2*7-10H,1-6H3;5*7-9H,1-6H3;5*1-2H3;7*1H4
InChIKeyIMYBENJVIOMHRJ-UHFFFAOYSA-N
MW2689.65 g/mol
LogP57.67
Rot. Bonds36

About ethane;methane;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);2,3,5-tri(propan-2-yl)pyrazine;bis(1,3,4-tri(propan-2-yl)pyrazole);3,4,6-tri(propan-2-yl)pyridazine;2,3,6-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyrimidine;bis(2,4,5-tri(propan-2-yl)-1,3-thiazole);2,4,5-tri(propan-2-yl)triazole

ethane;methane;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);2,3,5-tri(propan-2-yl)pyrazine;bis(1,3,4-tri(propan-2-yl)pyrazole);3,4,6-tri(propan-2-yl)pyridazine;2,3,6-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyrimidine;bis(2,4,5-tri(propan-2-yl)-1,3-thiazole);2,4,5-tri(propan-2-yl)triazole (PubChem CID 158746381) has the molecular formula C167H319N19O2S2 and a molecular weight of 2689.65 g/mol. Its IUPAC name is ethane;methane;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);2,3,5-tri(propan-2-yl)pyrazine;bis(1,3,4-tri(propan-2-yl)pyrazole);3,4,6-tri(propan-2-yl)pyridazine;2,3,6-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyrimidine;bis(2,4,5-tri(propan-2-yl)-1,3-thiazole);2,4,5-tri(propan-2-yl)triazole.

Molecular Properties

Compound Nameethane;methane;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);2,3,5-tri(propan-2-yl)pyrazine;bis(1,3,4-tri(propan-2-yl)pyrazole);3,4,6-tri(propan-2-yl)pyridazine;2,3,6-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyrimidine;bis(2,4,5-tri(propan-2-yl)-1,3-thiazole);2,4,5-tri(propan-2-yl)triazole
PubChem CID158746381
Molecular FormulaC167H319N19O2S2
Molecular Weight2689.65 g/mol
Exact Mass2687.49
IUPAC Nameethane;methane;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);2,3,5-tri(propan-2-yl)pyrazine;bis(1,3,4-tri(propan-2-yl)pyrazole);3,4,6-tri(propan-2-yl)pyridazine;2,3,6-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyrimidine;bis(2,4,5-tri(propan-2-yl)-1,3-thiazole);2,4,5-tri(propan-2-yl)triazole
SMILESC.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC(C)c1cc(C(C)C)c(C(C)C)cn1.CC(C)c1cc(C(C)C)c(C(C)C)nn1.CC(C)c1ccc(C(C)C)c(C(C)C)n1.CC(C)c1cn(C(C)C)nc1C(C)C.CC(C)c1cn(C(C)C)nc1C(C)C.CC(C)c1cnc(C(C)C)c(C(C)C)n1.CC(C)c1nc(C(C)C)c(C(C)C)o1.CC(C)c1nc(C(C)C)c(C(C)C)o1.CC(C)c1nc(C(C)C)c(C(C)C)s1.CC(C)c1nc(C(C)C)c(C(C)C)s1.CC(C)c1ncc(C(C)C)c(C(C)C)n1.CC(C)c1nn(C(C)C)nc1C(C)C
InChIInChI=1S/2C14H23N.3C13H22N2.2C12H22N2.2C12H21NO.2C12H21NS.C11H21N3.5C2H6.7CH4/c1-9(2)12-7-14(11(5)6)15-8-13(12)10(3)4;1-9(2)12-7-8-13(10(3)4)15-14(12)11(5)6;1-8(2)11-7-14-12(9(3)4)13(15-11)10(5)6;1-8(2)11-7-14-13(10(5)6)15-12(11)9(3)4;1-8(2)11-7-12(9(3)4)14-15-13(11)10(5)6;2*1-8(2)11-7-14(10(5)6)13-12(11)9(3)4;4*1-7(2)10-11(8(3)4)14-12(13-10)9(5)6;1-7(2)10-11(8(3)4)13-14(12-10)9(5)6;5*1-2;;;;;;;/h2*7-11H,1-6H3;3*7-10H,1-6H3;2*7-10H,1-6H3;5*7-9H,1-6H3;5*1-2H3;7*1H4
InChIKeyIMYBENJVIOMHRJ-UHFFFAOYSA-N
XLogP57.67
TPSA247.31 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds36
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002689.65
LogP ≤ 557.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze ethane;methane;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);2,3,5-tri(propan-2-yl)pyrazine;bis(1,3,4-tri(propan-2-yl)pyrazole);3,4,6-tri(propan-2-yl)pyridazine;2,3,6-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyrimidine;bis(2,4,5-tri(propan-2-yl)-1,3-thiazole);2,4,5-tri(propan-2-yl)triazole with MolForge

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Related Compounds

cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161987398
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157105515
3-methylpyridine;2-(2,3,3-trimethylbutan-2-yl)-1H-imidazole;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;2-(2,3,3-trimethylbutan-2-yl)pyrazine;3-(2,3,3-trimethylbutan-2-yl)pyridazine;4-(2,3,3-trimethylbutan-2-yl)pyridazine;2-(2,3,3-trimethylbutan-2-yl)pyridine;4-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,3,3-trimethylbutan-2-yl)pyrimidine;4-(2,3,3-trimethylbutan-2-yl)pyrimidine;2-(2,3,3-trimethylbutan-2-yl)-1,3-thiazole
CID 157170447
1,1-Dideuterioethylbenzene;2-(1,1-dideuterioethyl)-4,6-diphenylpyrimidine;4-(1,1-dideuterioethyl)-2,6-diphenylpyrimidine;2-(1,1-dideuterioethyl)pyrazine;2-(1,1-dideuterioethyl)pyridine;3-(1,1-dideuterioethyl)pyridine;4-(1,1-dideuterioethyl)pyridine;2-(1,1-dideuterioethyl)pyrimidine;4-(1,1-dideuterioethyl)pyrimidine;2-(1,1-dideuterioethyl)-1,3,4-thiadiazole;5-(1,1-dideuterioethyl)-1,2,4-thiadiazole;2-(1,1-dideuterioethyl)-1,3,5-triazine;4-(1,1-dideuterioethyl)-2,5,6-triphenylpyrimidine;4-ethyl-1,3-oxazole;3-ethyl-1,2,4-thiadiazole;4-ethyl-1,3-thiazole
CID 157175113
2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;5-tert-butylpyrido[3,4-b]pyrazine;8-tert-butylpyrido[3,4-b]pyrazine;4-tert-butylpyrido[3,2-d]pyrimidine;1-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;ethane
CID 157175764
Ethane;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
CID 157226919
2,5-Di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);3,6-di(propan-2-yl)pyridazine;bis(2,4-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyridine);2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);bis(2,5-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene
CID 157281708
1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 157283462
tert-butylbenzene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-3H-pyrrole;4-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;methane
CID 157288239
1,2-dimethylimidazole;1,2-dimethylpyrrole;methane;tris(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;bis(2-methyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 157358559
4-Methoxy-2,5,6-trimethylpyrimidine;2,3,4,6-tetramethylpyridine;bis(2,3,5,6-tetramethylpyridine);2,3,5-trimethylfuran;1,2,4-trimethylimidazole;bis(2,4,5-trimethyl-1,3-oxazole);2,3,6-trimethylpyridine;2,4,5-trimethylpyrimidine;bis(2,4,5-trimethyl-1,3-thiazole);1,3,5-trimethyl-1,2,4-triazole
CID 157379111
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157416201

Frequently Asked Questions

What is the IUPAC name of ethane;methane;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);2,3,5-tri(propan-2-yl)pyrazine;bis(1,3,4-tri(propan-2-yl)pyrazole);3,4,6-tri(propan-2-yl)pyridazine;2,3,6-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyrimidine;bis(2,4,5-tri(propan-2-yl)-1,3-thiazole);2,4,5-tri(propan-2-yl)triazole?
The IUPAC name of ethane;methane;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);2,3,5-tri(propan-2-yl)pyrazine;bis(1,3,4-tri(propan-2-yl)pyrazole);3,4,6-tri(propan-2-yl)pyridazine;2,3,6-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyrimidine;bis(2,4,5-tri(propan-2-yl)-1,3-thiazole);2,4,5-tri(propan-2-yl)triazole (CID 158746381) is ethane;methane;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);2,3,5-tri(propan-2-yl)pyrazine;bis(1,3,4-tri(propan-2-yl)pyrazole);3,4,6-tri(propan-2-yl)pyridazine;2,3,6-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyrimidine;bis(2,4,5-tri(propan-2-yl)-1,3-thiazole);2,4,5-tri(propan-2-yl)triazole.
What is the SMILES notation for ethane;methane;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);2,3,5-tri(propan-2-yl)pyrazine;bis(1,3,4-tri(propan-2-yl)pyrazole);3,4,6-tri(propan-2-yl)pyridazine;2,3,6-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyrimidine;bis(2,4,5-tri(propan-2-yl)-1,3-thiazole);2,4,5-tri(propan-2-yl)triazole?
The canonical SMILES for ethane;methane;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);2,3,5-tri(propan-2-yl)pyrazine;bis(1,3,4-tri(propan-2-yl)pyrazole);3,4,6-tri(propan-2-yl)pyridazine;2,3,6-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyrimidine;bis(2,4,5-tri(propan-2-yl)-1,3-thiazole);2,4,5-tri(propan-2-yl)triazole is C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC(C)c1cc(C(C)C)c(C(C)C)cn1.CC(C)c1cc(C(C)C)c(C(C)C)nn1.CC(C)c1ccc(C(C)C)c(C(C)C)n1.CC(C)c1cn(C(C)C)nc1C(C)C.CC(C)c1cn(C(C)C)nc1C(C)C.CC(C)c1cnc(C(C)C)c(C(C)C)n1.CC(C)c1nc(C(C)C)c(C(C)C)o1.CC(C)c1nc(C(C)C)c(C(C)C)o1.CC(C)c1nc(C(C)C)c(C(C)C)s1.CC(C)c1nc(C(C)C)c(C(C)C)s1.CC(C)c1ncc(C(C)C)c(C(C)C)n1.CC(C)c1nn(C(C)C)nc1C(C)C.
What is the InChIKey of ethane;methane;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);2,3,5-tri(propan-2-yl)pyrazine;bis(1,3,4-tri(propan-2-yl)pyrazole);3,4,6-tri(propan-2-yl)pyridazine;2,3,6-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyrimidine;bis(2,4,5-tri(propan-2-yl)-1,3-thiazole);2,4,5-tri(propan-2-yl)triazole?
The InChIKey is IMYBENJVIOMHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H23N.3C13H22N2.2C12H22N2.2C12H21NO.2C12H21NS.C11H21N3.5C2H6.7CH4/c1-9(2)12-7-14(11(5)6)15-8-13(12)10(3)4;1-9(2)12-7-8-13(10(3)4)15-14(12)11(5)6;1-8(2)11-7-14-12(9(3)4)13(15-11)10(5)6;1-8(2)11-7-14-13(10(5)6)15-12(11)9(3)4;1-8(2)11-7-12(9(3)4)14-15-13(11)10(5)6;2*1-8(2)11-7-14(10(5)6)13-12(11)9(3)4;4*1-7(2)10-11(8(3)4)14-12(13-10)9(5)6;1-7(2)10-11(8(3)4)13-14(12-10)9(5)6;5*1-2;;;;;;;/h2*7-11H,1-6H3;3*7-10H,1-6H3;2*7-10H,1-6H3;5*7-9H,1-6H3;5*1-2H3;7*1H4.
What are the key properties of ethane;methane;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);2,3,5-tri(propan-2-yl)pyrazine;bis(1,3,4-tri(propan-2-yl)pyrazole);3,4,6-tri(propan-2-yl)pyridazine;2,3,6-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyrimidine;bis(2,4,5-tri(propan-2-yl)-1,3-thiazole);2,4,5-tri(propan-2-yl)triazole?
ethane;methane;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);2,3,5-tri(propan-2-yl)pyrazine;bis(1,3,4-tri(propan-2-yl)pyrazole);3,4,6-tri(propan-2-yl)pyridazine;2,3,6-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyrimidine;bis(2,4,5-tri(propan-2-yl)-1,3-thiazole);2,4,5-tri(propan-2-yl)triazole has a molecular weight of 2689.65 g/mol, XLogP of 57.67, 36 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);2,3,5-tri(propan-2-yl)pyrazine;bis(1,3,4-tri(propan-2-yl)pyrazole);3,4,6-tri(propan-2-yl)pyridazine;2,3,6-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyrimidine;bis(2,4,5-tri(propan-2-yl)-1,3-thiazole);2,4,5-tri(propan-2-yl)triazole is sourced from PubChem (CID 158746381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).