Name: Seltorexant hydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT212670373
Cas No:1293284-49-7
常用名:Seltorexant hydrochloride
别名:JNJ-42847922 hydrochloride
IUPAC:2-{5-[2-fluoro-6-(2H-1,2,3-triazol-2-yl)benzoyl]-octahydropyrrolo[3,4-c]pyrrol-2-yl}-4,6-dimethylpyrimidine hydrochloride
IUPAC:2-{5-[2-fluoro-6-(2H-1,2,3-triazol-2-yl)benzoyl]-octahydropyrrolo[3,4-c]pyrrol-2-yl}-4,6-dimethylpyrimidine hydrochloride
InChI key:LILZQJZQERNISU-UHFFFAOYSA-N

分子式:C21H23ClFN7O
分子量:443.91
氢键供体数 (HBD):0
氢键受体数 (HBA):6
LogP:1.1431
SMILES:Cl.Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
SMILES:Cl.Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1

Seltorexant hydrochloride is a selective, orally active and high-affinity antagonist of OX2R with pKi values of 8.0 and 8.1 for human and rat OX2R.

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