Name: VU0652835
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212671684
Cas No:1848252-81-2
常用名:VU0652835
IUPAC:6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-{[(3R,5R)-5-methyloxolan-3-yl]oxy}pyridine-2-carboxamide
IUPAC:6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-{[(3R,5R)-5-methyloxolan-3-yl]oxy}pyridine-2-carboxamide
InChI key:VDVJFMDTCKVAIW-DGCLKSJQSA-N

分子式:C16H19N3O3S
分子量:333.41
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:1.9992218
SMILES:C[C@@H]1C[C@H](CO1)Oc1cc(C)nc(c1)C(=O)Nc1nc(C)cs1
SMILES:C[C@@H]1C[C@H](CO1)Oc1cc(C)nc(c1)C(=O)Nc1nc(C)cs1

VU0652835 is a negative allosteric modulator of metabotropic glutamate receptor subtype 5 (mGlu5) (IC50: 81 nM).

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