bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);californium;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,4-dimethyl-6-phenylpyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium);2-(phenylmethyl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid;2-(3H-thiophen-3-id-2-yl)pyridine

C141H125Cf3F5Ir8N9O12S3-9 — CID 159916845

IUPACbis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);californium;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,4-dimethyl-6-phenylpyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium);2-(phenylmethyl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid;2-(3H-thiophen-3-id-2-yl)pyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1cc(C)nc(-c2[c-]cccc2)c1.FC(F)(F)c1ccc(-c2[c-]c[c-]cc2)nc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(C=C(O)c1ccccc1)c1ccccc1.O=C(O)c1ccccn1.[Cf].[Cf].[Cf].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1.[c-]1ccsc1-c1ccccn1
InChIInChI=1S/C15H12O2.2C13H8NS.C13H12N.C12H6F3N.C12H10N.C11H6F2N.C11H8N.C11H20O2.C9H6NS.C6H5NO2.3C5H8O2.3Cf.8Ir/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-10-8-11(2)14-13(9-10)12-6-4-3-5-7-12;13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;1-2-6-10-8(4-1)9-5-3-7-11-9;8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;;;;;;;/h1-11,16H;2*1-8H;3-6,8-9H,1-2H3;2-4,6-8H;1-6,8-9H,10H2;1-4,6-7H;1-6,8-9H;7,12H,1-6H3;1-4,6-7H;1-4H,(H,8,9);3*3,6H,1-2H3;;;;;;;;;;;/q;3*-1;-2;3*-1;;-1;;;;;;;;;;;;;;;
InChIKeyOLBSRJAKDCZUSB-UHFFFAOYSA-N
MW4619.53 g/mol
LogP34.95
Rot. Bonds17

About bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);californium;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,4-dimethyl-6-phenylpyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium);2-(phenylmethyl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid;2-(3H-thiophen-3-id-2-yl)pyridine

bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);californium;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,4-dimethyl-6-phenylpyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium);2-(phenylmethyl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid;2-(3H-thiophen-3-id-2-yl)pyridine (PubChem CID 159916845) has the molecular formula C141H125Cf3F5Ir8N9O12S3-9 and a molecular weight of 4619.53 g/mol. Its IUPAC name is bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);californium;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,4-dimethyl-6-phenylpyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium);2-(phenylmethyl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid;2-(3H-thiophen-3-id-2-yl)pyridine.

Molecular Properties

Compound Namebis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);californium;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,4-dimethyl-6-phenylpyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium);2-(phenylmethyl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid;2-(3H-thiophen-3-id-2-yl)pyridine
PubChem CID159916845
Molecular FormulaC141H125Cf3F5Ir8N9O12S3-9
Molecular Weight4619.53 g/mol
Exact Mass4617.79
IUPAC Namebis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);californium;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,4-dimethyl-6-phenylpyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium);2-(phenylmethyl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid;2-(3H-thiophen-3-id-2-yl)pyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1cc(C)nc(-c2[c-]cccc2)c1.FC(F)(F)c1ccc(-c2[c-]c[c-]cc2)nc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(C=C(O)c1ccccc1)c1ccccc1.O=C(O)c1ccccn1.[Cf].[Cf].[Cf].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1.[c-]1ccsc1-c1ccccn1
InChIInChI=1S/C15H12O2.2C13H8NS.C13H12N.C12H6F3N.C12H10N.C11H6F2N.C11H8N.C11H20O2.C9H6NS.C6H5NO2.3C5H8O2.3Cf.8Ir/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-10-8-11(2)14-13(9-10)12-6-4-3-5-7-12;13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;1-2-6-10-8(4-1)9-5-3-7-11-9;8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;;;;;;;/h1-11,16H;2*1-8H;3-6,8-9H,1-2H3;2-4,6-8H;1-6,8-9H,10H2;1-4,6-7H;1-6,8-9H;7,12H,1-6H3;1-4,6-7H;1-4H,(H,8,9);3*3,6H,1-2H3;;;;;;;;;;;/q;3*-1;-2;3*-1;;-1;;;;;;;;;;;;;;;
InChIKeyOLBSRJAKDCZUSB-UHFFFAOYSA-N
XLogP34.95
TPSA339.81 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004619.53
LogP ≤ 534.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);californium;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,4-dimethyl-6-phenylpyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium);2-(phenylmethyl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid;2-(3H-thiophen-3-id-2-yl)pyridine with MolForge

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Related Compounds

10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(2-phenylpyridine);bis(pyridine-2-carboxylic acid);hexakis(rhodium);2-(3H-thiophen-3-id-2-yl)pyridine
CID 159564125
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2-ethyl-4-methylphenyl)-1-methanidylpyridin-1-ium;2-(2-ethylphenyl)-1-methanidylpyridin-1-ium;4-hydroxypent-3-en-2-one;tetrakis(iridium);bis(2-(4-methylbenzene-6-id-1-yl)pyridine);bis(2-phenylpyridine);pyridine-2-carboxylic acid
CID 158261646
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-phenyl-1,3-benzoxazole;2-phenylpyridine;2-phenylquinoline;pyridine-2-carboxylic acid
CID 157096016
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-2-(4-fluorophenyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);tris(pentane-2,4-diol);2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 158711323
bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);1-(4-fluoro-3-methylbenzene-6-id-1-yl)isoquinoline;4-hydroxypent-3-en-2-one;pentakis(iridium);1-(3-methylbenzene-6-id-1-yl)isoquinoline;1-phenylisoquinoline
CID 158724529
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(cyclopenten-1-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(1-(4-fluorobenzene-6-id-1-yl)indazole);tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid
CID 158517191
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;bis(1-(4-fluorobenzene-6-id-1-yl)indazole);tris(4-hydroxypent-3-en-2-one);pentakis(iridium);pyridine-2-carboxylic acid
CID 161493595
2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);heptakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 158305909
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid
CID 159306833
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;tris(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;bis(2-phenylpyridine);platinum(2+);pyridine-2-carboxylic acid
CID 159114327
pentakis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);4-hydroxypent-3-en-2-one;iridium;bis(iridium(3+));2-phenylpyridine;tris(2-phenylpyridine)
CID 158606000
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);2-phenyl-3-phenylpyrazine;2-phenylpyridine;platinum;2-pyridin-2-yl-1,3-benzothiazole;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine
CID 160900352

Frequently Asked Questions

What is the IUPAC name of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);californium;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,4-dimethyl-6-phenylpyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium);2-(phenylmethyl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid;2-(3H-thiophen-3-id-2-yl)pyridine?
The IUPAC name of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);californium;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,4-dimethyl-6-phenylpyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium);2-(phenylmethyl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid;2-(3H-thiophen-3-id-2-yl)pyridine (CID 159916845) is bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);californium;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,4-dimethyl-6-phenylpyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium);2-(phenylmethyl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid;2-(3H-thiophen-3-id-2-yl)pyridine.
What is the SMILES notation for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);californium;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,4-dimethyl-6-phenylpyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium);2-(phenylmethyl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid;2-(3H-thiophen-3-id-2-yl)pyridine?
The canonical SMILES for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);californium;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,4-dimethyl-6-phenylpyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium);2-(phenylmethyl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid;2-(3H-thiophen-3-id-2-yl)pyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1cc(C)nc(-c2[c-]cccc2)c1.FC(F)(F)c1ccc(-c2[c-]c[c-]cc2)nc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(C=C(O)c1ccccc1)c1ccccc1.O=C(O)c1ccccn1.[Cf].[Cf].[Cf].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1.[c-]1ccsc1-c1ccccn1.
What is the InChIKey of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);californium;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,4-dimethyl-6-phenylpyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium);2-(phenylmethyl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid;2-(3H-thiophen-3-id-2-yl)pyridine?
The InChIKey is OLBSRJAKDCZUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2.2C13H8NS.C13H12N.C12H6F3N.C12H10N.C11H6F2N.C11H8N.C11H20O2.C9H6NS.C6H5NO2.3C5H8O2.3Cf.8Ir/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-10-8-11(2)14-13(9-10)12-6-4-3-5-7-12;13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;1-2-6-10-8(4-1)9-5-3-7-11-9;8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;;;;;;;/h1-11,16H;2*1-8H;3-6,8-9H,1-2H3;2-4,6-8H;1-6,8-9H,10H2;1-4,6-7H;1-6,8-9H;7,12H,1-6H3;1-4,6-7H;1-4H,(H,8,9);3*3,6H,1-2H3;;;;;;;;;;;/q;3*-1;-2;3*-1;;-1;;;;;;;;;;;;;;;.
What are the key properties of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);californium;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,4-dimethyl-6-phenylpyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium);2-(phenylmethyl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid;2-(3H-thiophen-3-id-2-yl)pyridine?
bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);californium;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,4-dimethyl-6-phenylpyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium);2-(phenylmethyl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid;2-(3H-thiophen-3-id-2-yl)pyridine has a molecular weight of 4619.53 g/mol, XLogP of 34.95, 17 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);californium;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,4-dimethyl-6-phenylpyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium);2-(phenylmethyl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid;2-(3H-thiophen-3-id-2-yl)pyridine is sourced from PubChem (CID 159916845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).