Name: ARS-2102
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220912432
Cas No:
常用名:ARS-2102
IUPAC:1-[(2R,5S)-4-{6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl}-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
IUPAC:1-[(2R,5S)-4-{6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl}-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
InChI key:InChIKey=BRUZWIBJXKKLSL-CVEARBPZSA-N

分子式:C28H31ClF2N6O2
分子量:557.04
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H]1CN([C@@H](C)CN1C(=O)C=C)c1nc(nc2c(F)c(c(Cl)cc12)-c1c(O)cccc1F)N1CC(C1)N(C)C
SMILES:C[C@@H]1CN([C@@H](C)CN1C(=O)C=C)c1nc(nc2c(F)c(c(Cl)cc12)-c1c(O)cccc1F)N1CC(C1)N(C)C

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