[1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol

C62H76F3N27O6 — CID 158398352

IUPAC[1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESNc1nc(Nc2ccc(N3CCOCC3)cc2F)nn1-c1cc(N2CC[C@@H](O)C2)ncn1.Nc1nc(Nc2ccc(N3CCOCC3)cc2F)nn1-c1cc(N2CC[C@H](O)C2)ncn1.Nc1nc(Nc2ccc(N3CCOCC3)cc2F)nn1-c1cc(NC2(CO)CCCC2)ncn1
InChIInChI=1S/C22H28FN9O2.2C20H24FN9O2/c23-16-11-15(31-7-9-34-10-8-31)3-4-17(16)27-21-28-20(24)32(30-21)19-12-18(25-14-26-19)29-22(13-33)5-1-2-6-22;2*21-15-9-13(28-5-7-32-8-6-28)1-2-16(15)25-20-26-19(22)30(27-20)18-10-17(23-12-24-18)29-4-3-14(31)11-29/h3-4,11-12,14,33H,1-2,5-10,13H2,(H,25,26,29)(H3,24,27,28,30);2*1-2,9-10,12,14,31H,3-8,11H2,(H3,22,25,26,27)/t;2*14-/m.10/s1
InChIKeyGXUJDOFRLMLEOY-QZCYTAHUSA-N
MW1352.47 g/mol
LogP3.94
Rot. Bonds17

About [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol

[1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 158398352) has the molecular formula C62H76F3N27O6 and a molecular weight of 1352.47 g/mol. Its IUPAC name is [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name[1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID158398352
Molecular FormulaC62H76F3N27O6
Molecular Weight1352.47 g/mol
Exact Mass1351.64
IUPAC Name[1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESNc1nc(Nc2ccc(N3CCOCC3)cc2F)nn1-c1cc(N2CC[C@@H](O)C2)ncn1.Nc1nc(Nc2ccc(N3CCOCC3)cc2F)nn1-c1cc(N2CC[C@H](O)C2)ncn1.Nc1nc(Nc2ccc(N3CCOCC3)cc2F)nn1-c1cc(NC2(CO)CCCC2)ncn1
InChIInChI=1S/C22H28FN9O2.2C20H24FN9O2/c23-16-11-15(31-7-9-34-10-8-31)3-4-17(16)27-21-28-20(24)32(30-21)19-12-18(25-14-26-19)29-22(13-33)5-1-2-6-22;2*21-15-9-13(28-5-7-32-8-6-28)1-2-16(15)25-20-26-19(22)30(27-20)18-10-17(23-12-24-18)29-4-3-14(31)11-29/h3-4,11-12,14,33H,1-2,5-10,13H2,(H,25,26,29)(H3,24,27,28,30);2*1-2,9-10,12,14,31H,3-8,11H2,(H3,22,25,26,27)/t;2*14-/m.10/s1
InChIKeyGXUJDOFRLMLEOY-QZCYTAHUSA-N
XLogP3.94
TPSA400.23 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds17
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001352.47
LogP ≤ 53.94
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Analyze [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;[1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]piperidin-4-yl]methanol;(3R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 157374548
[1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]piperidin-4-yl]methanol;(2S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(3S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 158213943
4-[2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;5-(2,4-difluorophenyl)-1-[4-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;5-(2,5-difluorophenyl)-1-[4-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;5-(4-fluorophenyl)-1-[4-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 158694554
(2S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;[(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;3-N-[4-(morpholin-4-ylmethyl)phenyl]-1-(2-piperidin-1-ylpyrimidin-4-yl)-1,2,4-triazole-3,5-diamine
CID 159514599
[1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]piperidin-4-yl]methanol;[(2S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 159606675
(2S)-2-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]-2-phenylethanol;1-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-3-N-(2,4-difluorophenyl)-1,2,4-triazole-3,5-diamine;1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-5-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
CID 159813717
N-cyclohexyl-4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-amine;4-[[4-[3-(3-imidazol-1-ylpropylamino)-5-methyl-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 160518662
4-(3-anilino-1,2,4-triazol-1-yl)-N-benzyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-ethylamino]ethanol;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-propylamino]ethanol;1-[2-(2-methylpyrrolidin-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine
CID 160668407
N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol
CID 160730557
(2S)-2-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]-2-phenylethanol;(2R)-2-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]propan-1-ol;1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-5-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;ethyl 4-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 160931022
4-(3-anilino-1,2,4-triazol-1-yl)-N-benzyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-ethylamino]ethanol;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-propylamino]ethanol;1-[2-(2-methylpyrrolidin-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine
CID 160934238
[1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 161037272

Frequently Asked Questions

What is the IUPAC name of [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol (CID 158398352) is [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol is Nc1nc(Nc2ccc(N3CCOCC3)cc2F)nn1-c1cc(N2CC[C@@H](O)C2)ncn1.Nc1nc(Nc2ccc(N3CCOCC3)cc2F)nn1-c1cc(N2CC[C@H](O)C2)ncn1.Nc1nc(Nc2ccc(N3CCOCC3)cc2F)nn1-c1cc(NC2(CO)CCCC2)ncn1.
What is the InChIKey of [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is GXUJDOFRLMLEOY-QZCYTAHUSA-N. The full InChI is InChI=1S/C22H28FN9O2.2C20H24FN9O2/c23-16-11-15(31-7-9-34-10-8-31)3-4-17(16)27-21-28-20(24)32(30-21)19-12-18(25-14-26-19)29-22(13-33)5-1-2-6-22;2*21-15-9-13(28-5-7-32-8-6-28)1-2-16(15)25-20-26-19(22)30(27-20)18-10-17(23-12-24-18)29-4-3-14(31)11-29/h3-4,11-12,14,33H,1-2,5-10,13H2,(H,25,26,29)(H3,24,27,28,30);2*1-2,9-10,12,14,31H,3-8,11H2,(H3,22,25,26,27)/t;2*14-/m.10/s1.
What are the key properties of [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
[1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 1352.47 g/mol, XLogP of 3.94, 17 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 158398352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).