Exatecan-amide-bicyclo[1.1.1]pentan-1-ylmethanol
HIT218849192
sdf文件结构编辑类似物检索
HIT ID: HIT218849192
Cas No: 2891774-71-1
分子式: C31H30FN3O6
分子量: 559.594
常用名: Exatecan-amide-bicyclo[1.1.1]pentan-1-ylmethanol
常用名: Exatecan-amide-bicyclo[1.1.1]pentan-1-ylmethanol
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0^{2,14}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxamide
IUPAC: N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0^{2,14}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxamide
SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)C67CC(CO)(C6)C7)c(c3Cn1c2=O)c45
SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)C67CC(CO)(C6)C7)c(c3Cn1c2=O)c45
InChI key: NJOCUHWCWLJEOM-OXXUGIMDSA-N
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