4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[3-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine

C129H120F4N32O15S4 — CID 159504621

IUPAC4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[3-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCN1CCN(c2ccc(-c3cnc4c(Nc5cccc(OC(F)(F)C(F)F)c5)nccn34)cn2)CC1.COc1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.COc1ccc2cc(-c3cnc4c(NCc5ccc(S(N)(=O)=O)cc5)nccn34)ccc2c1.CS(=O)(=O)Nc1cccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)c1.Cc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc(C)c1O.NC(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1
InChIInChI=1S/C24H23F4N7O.C24H21N5O3S.C21H21N5O3S.C20H20N6O4S2.C20H17N5O2.C20H18N4O2/c1-33-9-11-34(12-10-33)20-6-5-16(14-30-20)19-15-31-22-21(29-7-8-35(19)22)32-17-3-2-4-18(13-17)36-24(27,28)23(25)26;1-32-20-7-6-17-12-19(5-4-18(17)13-20)22-15-28-24-23(26-10-11-29(22)24)27-14-16-2-8-21(9-3-16)33(25,30)31;1-13-9-16(10-14(2)19(13)27)18-12-25-21-20(23-7-8-26(18)21)24-11-15-3-5-17(6-4-15)30(22,28)29;1-31(27,28)25-16-4-2-3-15(11-16)18-13-24-20-19(22-9-10-26(18)20)23-12-14-5-7-17(8-6-14)32(21,29)30;21-18(27)15-3-1-13(2-4-15)11-23-19-20-24-12-17(25(20)10-9-22-19)14-5-7-16(26)8-6-14;1-26-17-8-2-14(3-9-17)12-22-19-20-23-13-18(24(20)11-10-21-19)15-4-6-16(25)7-5-15/h2-8,13-15,23H,9-12H2,1H3,(H,29,32);2-13,15H,14H2,1H3,(H,26,27)(H2,25,30,31);3-10,12,27H,11H2,1-2H3,(H,23,24)(H2,22,28,29);2-11,13,25H,12H2,1H3,(H,22,23)(H2,21,29,30);1-10,12,26H,11H2,(H2,21,27)(H,22,23);2-11,13,25H,12H2,1H3,(H,21,22)
InChIKeyLZVBKHBUIPGDHH-UHFFFAOYSA-N
MW2562.85 g/mol
LogP19.88
Rot. Bonds35

About 4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[3-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine

4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[3-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 159504621) has the molecular formula C129H120F4N32O15S4 and a molecular weight of 2562.85 g/mol. Its IUPAC name is 4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[3-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[3-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID159504621
Molecular FormulaC129H120F4N32O15S4
Molecular Weight2562.85 g/mol
Exact Mass2560.84
IUPAC Name4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[3-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCN1CCN(c2ccc(-c3cnc4c(Nc5cccc(OC(F)(F)C(F)F)c5)nccn34)cn2)CC1.COc1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.COc1ccc2cc(-c3cnc4c(NCc5ccc(S(N)(=O)=O)cc5)nccn34)ccc2c1.CS(=O)(=O)Nc1cccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)c1.Cc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc(C)c1O.NC(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1
InChIInChI=1S/C24H23F4N7O.C24H21N5O3S.C21H21N5O3S.C20H20N6O4S2.C20H17N5O2.C20H18N4O2/c1-33-9-11-34(12-10-33)20-6-5-16(14-30-20)19-15-31-22-21(29-7-8-35(19)22)32-17-3-2-4-18(13-17)36-24(27,28)23(25)26;1-32-20-7-6-17-12-19(5-4-18(17)13-20)22-15-28-24-23(26-10-11-29(22)24)27-14-16-2-8-21(9-3-16)33(25,30)31;1-13-9-16(10-14(2)19(13)27)18-12-25-21-20(23-7-8-26(18)21)24-11-15-3-5-17(6-4-15)30(22,28)29;1-31(27,28)25-16-4-2-3-15(11-16)18-13-24-20-19(22-9-10-26(18)20)23-12-14-5-7-17(8-6-14)32(21,29)30;21-18(27)15-3-1-13(2-4-15)11-23-19-20-24-12-17(25(20)10-9-22-19)14-5-7-16(26)8-6-14;1-26-17-8-2-14(3-9-17)12-22-19-20-23-13-18(24(20)11-10-21-19)15-4-6-16(25)7-5-15/h2-8,13-15,23H,9-12H2,1H3,(H,29,32);2-13,15H,14H2,1H3,(H,26,27)(H2,25,30,31);3-10,12,27H,11H2,1-2H3,(H,23,24)(H2,22,28,29);2-11,13,25H,12H2,1H3,(H,22,23)(H2,21,29,30);1-10,12,26H,11H2,(H2,21,27)(H,22,23);2-11,13,25H,12H2,1H3,(H,21,22)
InChIKeyLZVBKHBUIPGDHH-UHFFFAOYSA-N
XLogP19.88
TPSA630.81 Ų
H-Bond Donors14
H-Bond Acceptors42
Rotatable Bonds35
Heavy Atoms184
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002562.85
LogP ≤ 519.88
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[3-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[3-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[3-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 159504621) is 4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[3-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[3-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[3-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine is CN1CCN(c2ccc(-c3cnc4c(Nc5cccc(OC(F)(F)C(F)F)c5)nccn34)cn2)CC1.COc1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.COc1ccc2cc(-c3cnc4c(NCc5ccc(S(N)(=O)=O)cc5)nccn34)ccc2c1.CS(=O)(=O)Nc1cccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)c1.Cc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc(C)c1O.NC(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.
What is the InChIKey of 4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[3-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is LZVBKHBUIPGDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N7O.C24H21N5O3S.C21H21N5O3S.C20H20N6O4S2.C20H17N5O2.C20H18N4O2/c1-33-9-11-34(12-10-33)20-6-5-16(14-30-20)19-15-31-22-21(29-7-8-35(19)22)32-17-3-2-4-18(13-17)36-24(27,28)23(25)26;1-32-20-7-6-17-12-19(5-4-18(17)13-20)22-15-28-24-23(26-10-11-29(22)24)27-14-16-2-8-21(9-3-16)33(25,30)31;1-13-9-16(10-14(2)19(13)27)18-12-25-21-20(23-7-8-26(18)21)24-11-15-3-5-17(6-4-15)30(22,28)29;1-31(27,28)25-16-4-2-3-15(11-16)18-13-24-20-19(22-9-10-26(18)20)23-12-14-5-7-17(8-6-14)32(21,29)30;21-18(27)15-3-1-13(2-4-15)11-23-19-20-24-12-17(25(20)10-9-22-19)14-5-7-16(26)8-6-14;1-26-17-8-2-14(3-9-17)12-22-19-20-23-13-18(24(20)11-10-21-19)15-4-6-16(25)7-5-15/h2-8,13-15,23H,9-12H2,1H3,(H,29,32);2-13,15H,14H2,1H3,(H,26,27)(H2,25,30,31);3-10,12,27H,11H2,1-2H3,(H,23,24)(H2,22,28,29);2-11,13,25H,12H2,1H3,(H,22,23)(H2,21,29,30);1-10,12,26H,11H2,(H2,21,27)(H,22,23);2-11,13,25H,12H2,1H3,(H,21,22).
What are the key properties of 4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[3-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine?
4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[3-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 2562.85 g/mol, XLogP of 19.88, 35 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[3-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 159504621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).