6-(3-ethylsulfanylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-ethylsulfanylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole;2-(3-ethylsulfinylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole

C112H76F17N15O9S8 — CID 158566635

IUPAC6-(3-ethylsulfanylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-ethylsulfanylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole;2-(3-ethylsulfinylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole
SMILESCCS(=O)c1cc2ccccc2nc1-c1nc2cc(C(F)(F)F)cnc2o1.CCS(=O)c1cc2ccccc2nc1-c1nc2cc(SC(F)(F)F)ccc2o1.CCSc1cc2ccccc2nc1-c1nc2cc(C(F)(F)F)ccc2o1.CCSc1cc2ccccc2nc1-c1nc2cc(C(F)(F)F)cnc2o1.CCSc1cc2ccccc2nc1-c1nc2cc(SC(F)(F)F)ccc2o1.CCSc1cc2ccccc2nc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3
InChIInChI=1S/C19H13F3N2O2S2.C19H13F3N2OS2.C19H13F3N2OS.C19H13F2N3O2S.C18H12F3N3O2S.C18H12F3N3OS/c1-2-28(25)16-9-11-5-3-4-6-13(11)23-17(16)18-24-14-10-12(27-19(20,21)22)7-8-15(14)26-18;1-2-26-16-9-11-5-3-4-6-13(11)23-17(16)18-24-14-10-12(27-19(20,21)22)7-8-15(14)25-18;1-2-26-16-9-11-5-3-4-6-13(11)23-17(16)18-24-14-10-12(19(20,21)22)7-8-15(14)25-18;1-2-27-16-7-10-5-3-4-6-11(10)22-17(16)18-23-12-8-14-15(9-13(12)24-18)26-19(20,21)25-14;1-2-27(25)14-7-10-5-3-4-6-12(10)23-15(14)17-24-13-8-11(18(19,20)21)9-22-16(13)26-17;1-2-26-14-7-10-5-3-4-6-12(10)23-15(14)17-24-13-8-11(18(19,20)21)9-22-16(13)25-17/h3-10H,2H2,1H3;3-10H,2H2,1H3;3-10H,2H2,1H3;3-9H,2H2,1H3,(H,23,24);3-9H,2H2,1H3;3-9H,2H2,1H3
InChIKeyHROGPKXAWUSWSB-UHFFFAOYSA-N
MW2355.44 g/mol
LogP34.09
Rot. Bonds20

About 6-(3-ethylsulfanylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-ethylsulfanylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole;2-(3-ethylsulfinylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole

6-(3-ethylsulfanylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-ethylsulfanylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole;2-(3-ethylsulfinylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole (PubChem CID 158566635) has the molecular formula C112H76F17N15O9S8 and a molecular weight of 2355.44 g/mol. Its IUPAC name is 6-(3-ethylsulfanylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-ethylsulfanylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole;2-(3-ethylsulfinylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(3-ethylsulfanylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-ethylsulfanylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole;2-(3-ethylsulfinylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole
PubChem CID158566635
Molecular FormulaC112H76F17N15O9S8
Molecular Weight2355.44 g/mol
Exact Mass2353.34
IUPAC Name6-(3-ethylsulfanylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-ethylsulfanylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole;2-(3-ethylsulfinylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole
SMILESCCS(=O)c1cc2ccccc2nc1-c1nc2cc(C(F)(F)F)cnc2o1.CCS(=O)c1cc2ccccc2nc1-c1nc2cc(SC(F)(F)F)ccc2o1.CCSc1cc2ccccc2nc1-c1nc2cc(C(F)(F)F)ccc2o1.CCSc1cc2ccccc2nc1-c1nc2cc(C(F)(F)F)cnc2o1.CCSc1cc2ccccc2nc1-c1nc2cc(SC(F)(F)F)ccc2o1.CCSc1cc2ccccc2nc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3
InChIInChI=1S/C19H13F3N2O2S2.C19H13F3N2OS2.C19H13F3N2OS.C19H13F2N3O2S.C18H12F3N3O2S.C18H12F3N3OS/c1-2-28(25)16-9-11-5-3-4-6-13(11)23-17(16)18-24-14-10-12(27-19(20,21)22)7-8-15(14)26-18;1-2-26-16-9-11-5-3-4-6-13(11)23-17(16)18-24-14-10-12(27-19(20,21)22)7-8-15(14)25-18;1-2-26-16-9-11-5-3-4-6-13(11)23-17(16)18-24-14-10-12(19(20,21)22)7-8-15(14)25-18;1-2-27-16-7-10-5-3-4-6-11(10)22-17(16)18-23-12-8-14-15(9-13(12)24-18)26-19(20,21)25-14;1-2-27(25)14-7-10-5-3-4-6-12(10)23-15(14)17-24-13-8-11(18(19,20)21)9-22-16(13)26-17;1-2-26-14-7-10-5-3-4-6-12(10)23-15(14)17-24-13-8-11(18(19,20)21)9-22-16(13)25-17/h3-10H,2H2,1H3;3-10H,2H2,1H3;3-10H,2H2,1H3;3-9H,2H2,1H3,(H,23,24);3-9H,2H2,1H3;3-9H,2H2,1H3
InChIKeyHROGPKXAWUSWSB-UHFFFAOYSA-N
XLogP34.09
TPSA314.55 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds20
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002355.44
LogP ≤ 534.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze 6-(3-ethylsulfanylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-ethylsulfanylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole;2-(3-ethylsulfinylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole with MolForge

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Related Compounds

2,2-difluoro-7-methyl-6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazole;2-fluoro-2-methyl-6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;1-methyl-2-propan-2-yl-5-(trifluoromethyl)benzimidazole;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole;2-propan-2-yl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
CID 157089632
3-Ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfinyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]quinoline;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfinyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole
CID 157189623
3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;6-(3-ethylsulfinylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 161024167
3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;6-(3-ethylsulfonylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;6-(3-ethylsulfonylquinolin-2-yl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole
CID 161166687

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylsulfanylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-ethylsulfanylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole;2-(3-ethylsulfinylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole?
The IUPAC name of 6-(3-ethylsulfanylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-ethylsulfanylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole;2-(3-ethylsulfinylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole (CID 158566635) is 6-(3-ethylsulfanylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-ethylsulfanylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole;2-(3-ethylsulfinylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole.
What is the SMILES notation for 6-(3-ethylsulfanylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-ethylsulfanylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole;2-(3-ethylsulfinylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole?
The canonical SMILES for 6-(3-ethylsulfanylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-ethylsulfanylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole;2-(3-ethylsulfinylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole is CCS(=O)c1cc2ccccc2nc1-c1nc2cc(C(F)(F)F)cnc2o1.CCS(=O)c1cc2ccccc2nc1-c1nc2cc(SC(F)(F)F)ccc2o1.CCSc1cc2ccccc2nc1-c1nc2cc(C(F)(F)F)ccc2o1.CCSc1cc2ccccc2nc1-c1nc2cc(C(F)(F)F)cnc2o1.CCSc1cc2ccccc2nc1-c1nc2cc(SC(F)(F)F)ccc2o1.CCSc1cc2ccccc2nc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3.
What is the InChIKey of 6-(3-ethylsulfanylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-ethylsulfanylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole;2-(3-ethylsulfinylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole?
The InChIKey is HROGPKXAWUSWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O2S2.C19H13F3N2OS2.C19H13F3N2OS.C19H13F2N3O2S.C18H12F3N3O2S.C18H12F3N3OS/c1-2-28(25)16-9-11-5-3-4-6-13(11)23-17(16)18-24-14-10-12(27-19(20,21)22)7-8-15(14)26-18;1-2-26-16-9-11-5-3-4-6-13(11)23-17(16)18-24-14-10-12(27-19(20,21)22)7-8-15(14)25-18;1-2-26-16-9-11-5-3-4-6-13(11)23-17(16)18-24-14-10-12(19(20,21)22)7-8-15(14)25-18;1-2-27-16-7-10-5-3-4-6-11(10)22-17(16)18-23-12-8-14-15(9-13(12)24-18)26-19(20,21)25-14;1-2-27(25)14-7-10-5-3-4-6-12(10)23-15(14)17-24-13-8-11(18(19,20)21)9-22-16(13)26-17;1-2-26-14-7-10-5-3-4-6-12(10)23-15(14)17-24-13-8-11(18(19,20)21)9-22-16(13)25-17/h3-10H,2H2,1H3;3-10H,2H2,1H3;3-10H,2H2,1H3;3-9H,2H2,1H3,(H,23,24);3-9H,2H2,1H3;3-9H,2H2,1H3.
What are the key properties of 6-(3-ethylsulfanylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-ethylsulfanylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole;2-(3-ethylsulfinylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole?
6-(3-ethylsulfanylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-ethylsulfanylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole;2-(3-ethylsulfinylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole has a molecular weight of 2355.44 g/mol, XLogP of 34.09, 20 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylsulfanylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-ethylsulfanylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole;2-(3-ethylsulfinylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole is sourced from PubChem (CID 158566635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).