Name: SCD1-IN-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214437965
Cas No:1111078-63-7
常用名:SCD1-IN-1
IUPAC:2-[4-(hydroxymethyl)phenoxy]-1-[(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]ethan-1-one
IUPAC:2-[4-(hydroxymethyl)phenoxy]-1-[(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]ethan-1-one
InChI key:MZYNHNDFHWNIIU-INIZCTEOSA-N

分子式:C20H20F3NO4
分子量:395.378
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OCc1ccc(OCC(=O)N2CC[C@@H](C2)Oc2ccccc2C(F)(F)F)cc1
SMILES:OCc1ccc(OCC(=O)N2CC[C@@H](C2)Oc2ccccc2C(F)(F)F)cc1

SCD1-IN-1, a potent inhibitor of SCD1 (IC50: 5.8 nM), is valuable in dermatologic research [1].

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