Name: OTSSP167 hydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT212653290
Cas No:1431698-10-0
常用名:OTSSP167 hydrochloride
别名:OTSSP 167 盐酸盐
IUPAC:1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-{[(1r,4r)-4-[(dimethylamino)methyl]cyclohexyl]amino}-1,5-naphthyridin-3-yl]ethan-1-one hydrochloride
IUPAC:1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-{[(1r,4r)-4-[(dimethylamino)methyl]cyclohexyl]amino}-1,5-naphthyridin-3-yl]ethan-1-one hydrochloride
InChI key:XDGWHISAOWEFML-BFLZMHAMSA-N

分子式:C25H29Cl3N4O2
分子量:523.88
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:4.064046
SMILES:Cl.CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |wU:8.10,wD:5.3,(11.19,,;-.77,-5.72,;-2.1,-4.95,;-3.44,-5.72,;-2.1,-3.41,;-.77,-2.64,;.57,-3.41,;1.9,-2.64,;1.9,-1.1,;.57,-.33,;-.77,-1.1,;3.23,-.33,;3.23,1.21,;4.57,1.98,;4.57,3.52,;3.23,4.29,;1.9,3.52,;.57,4.29,;-.77,3.52,;-.77,1.98,;.57,1.21,;1.9,1.98,;-2.1,1.21,;-3.44,1.98,;-4.77,1.21,;-6.1,1.98,;-4.77,-.33,;-6.1,-1.1,;-3.44,-1.1,;-3.44,-2.64,;-2.1,-.33,;5.9,1.21,;7.23,1.98,;5.9,-.33,)|
SMILES:Cl.CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |wU:8.10,wD:5.3,(11.19,,;-.77,-5.72,;-2.1,-4.95,;-3.44,-5.72,;-2.1,-3.41,;-.77,-2.64,;.57,-3.41,;1.9,-2.64,;1.9,-1.1,;.57,-.33,;-.77,-1.1,;3.23,-.33,;3.23,1.21,;4.57,1.98,;4.57,3.52,;3.23,4.29,;1.9,3.52,;.57,4.29,;-.77,3.52,;-.77,1.98,;.57,1.21,;1.9,1.98,;-2.1,1.21,;-3.44,1.98,;-4.77,1.21,;-6.1,1.98,;-4.77,-.33,;-6.1,-1.1,;-3.44,-1.1,;-3.44,-2.64,;-2.1,-.33,;5.9,1.21,;7.23,1.98,;5.9,-.33,)|

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