HIT ID: HIT211999802
Cas No: 649735-63-7
分子式: C22H24FN5O4
分子量: 441.463
常用名: Brivanib (alaninate)
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 3.501098
IUPAC: (2R)-1-({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl}oxy)propan-2-yl (2S)-2-aminopropanoate
IUPAC: (2R)-1-({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl}oxy)propan-2-yl (2S)-2-aminopropanoate
SMILES: C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)[C@H](C)N
SMILES: C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)[C@H](C)N
InChI key: LTEJRLHKIYCEOX-OCCSQVGLSA-N
