Name: E-7386
Rating: 5 (10 reviews)

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HIT ID:HIT212661542
Cas No:1799824-08-0
常用名:E-7386
别名:E7386
IUPAC:(6S,9aS)-N-benzyl-8-({6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-6-[(2-fluoro-4-hydroxyphenyl)methyl]-4,7-dioxo-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide
IUPAC:(6S,9aS)-N-benzyl-8-({6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-6-[(2-fluoro-4-hydroxyphenyl)methyl]-4,7-dioxo-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide
InChI key:ZGNKNLOBYFTGRG-GIWKVKTRSA-N

分子式:C39H48FN9O4
分子量:725.87
氢键供体数 (HBD):2
氢键受体数 (HBA):9
LogP:2.4469104
SMILES:CCN1CCN(CC1)C1CN(C1)c1cccc(CN2C[C@H]3N([C@@H](Cc4ccc(O)cc4F)C2=O)C(=O)CN(CC=C)N3C(=O)NCc2ccccc2)n1
SMILES:CCN1CCN(CC1)C1CN(C1)c1cccc(CN2C[C@H]3N([C@@H](Cc4ccc(O)cc4F)C2=O)C(=O)CN(CC=C)N3C(=O)NCc2ccccc2)n1

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