Name: YM44781
Rating: 5 (10 reviews)

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HIT ID:HIT212713962
Cas No:173943-29-8
常用名:YM44781
别名:YM-44781, YM 44781
IUPAC:N-[2-(3,4-dichlorophenyl)-4-{3-oxo-3,4-dihydro-2H-spiro[isoquinoline-1,4'-piperidin]-1'-yl}butyl]-4-fluoro-N-methylbenzamide
IUPAC:N-[2-(3,4-dichlorophenyl)-4-{3-oxo-3,4-dihydro-2H-spiro[isoquinoline-1,4'-piperidin]-1'-yl}butyl]-4-fluoro-N-methylbenzamide
InChI key:MIXOPBNZLJBQJH-UHFFFAOYSA-N

分子式:C31H32Cl2FN3O2
分子量:568.51
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:5.2561336
SMILES:CN(CC(CCN1CCC2(CC1)NC(=O)Cc1ccccc21)c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(F)cc1
SMILES:CN(CC(CCN1CCC2(CC1)NC(=O)Cc1ccccc21)c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(F)cc1

YM44781 is a non-peptide tachykinin receptor antagonist. YM44781 exhibits high binding affinities at NK(1) (pK(i) = 9.09 +/- 0.02) and NK(2) (pK(i) = 9.94 +/- 0.03) receptors, respectively.

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