Name: EPZ020411 hydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT212972266
Cas No:2070015-25-5
常用名:EPZ020411 hydrochloride
别名:EPZ020411 HCl
IUPAC:methyl[2-(methylamino)ethyl][(3-{4-[(1r,3r)-3-[2-(oxan-4-yl)ethoxy]cyclobutoxy]phenyl}-1H-pyrazol-4-yl)methyl]amine hydrochloride
IUPAC:methyl[2-(methylamino)ethyl][(3-{4-[(1r,3r)-3-[2-(oxan-4-yl)ethoxy]cyclobutoxy]phenyl}-1H-pyrazol-4-yl)methyl]amine hydrochloride
InChI key:LIDZHJMYAKPGOJ-FBGQUBCLSA-N

分子式:C25H39ClN4O3
分子量:479.06
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:2.5391824
SMILES:Cl.CNCCN(C)Cc1c[nH]nc1-c1ccc(O[C@H]2C[C@@H](C2)OCCC2CCOCC2)cc1 |wU:20.22,wD:18.17,(8.75,,;-6.94,5.39,;-5.61,4.62,;-4.27,5.39,;-2.94,4.62,;-1.61,5.39,;-1.61,6.93,;-.27,4.62,;1.06,5.39,;1.22,6.93,;2.73,7.25,;3.5,5.91,;2.47,4.77,;2.79,3.26,;4.25,2.79,;4.57,1.28,;3.43,.25,;3.75,-1.26,;2.6,-2.29,;1.07,-2.21,;.99,-3.74,;2.52,-3.83,;-.16,-4.78,;-1.62,-4.3,;-2.77,-5.33,;-2.45,-6.84,;-.98,-7.31,;-.66,-8.82,;-1.81,-9.85,;-3.27,-9.37,;-3.59,-7.87,;1.96,.73,;1.64,2.23,)|
SMILES:Cl.CNCCN(C)Cc1c[nH]nc1-c1ccc(O[C@H]2C[C@@H](C2)OCCC2CCOCC2)cc1 |wU:20.22,wD:18.17,(8.75,,;-6.94,5.39,;-5.61,4.62,;-4.27,5.39,;-2.94,4.62,;-1.61,5.39,;-1.61,6.93,;-.27,4.62,;1.06,5.39,;1.22,6.93,;2.73,7.25,;3.5,5.91,;2.47,4.77,;2.79,3.26,;4.25,2.79,;4.57,1.28,;3.43,.25,;3.75,-1.26,;2.6,-2.29,;1.07,-2.21,;.99,-3.74,;2.52,-3.83,;-.16,-4.78,;-1.62,-4.3,;-2.77,-5.33,;-2.45,-6.84,;-.98,-7.31,;-.66,-8.82,;-1.81,-9.85,;-3.27,-9.37,;-3.59,-7.87,;1.96,.73,;1.64,2.23,)|

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