HSP90-IN-12
HIT214435622
sdf文件结构编辑类似物检索
HIT ID: HIT214435622
Cas No: 2408643-60-5
分子式: C25H36O4
分子量: 400.559
常用名: HSP90-IN-12
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,2R,5S,11R)-1,5-dimethyl-8-methylidene-5-(4-methylpent-3-en-1-yl)-7-oxo-12-oxabicyclo[9.1.0]dodec-3-en-2-yl 3-methylbut-2-enoate
IUPAC: (1R,2R,5S,11R)-1,5-dimethyl-8-methylidene-5-(4-methylpent-3-en-1-yl)-7-oxo-12-oxabicyclo[9.1.0]dodec-3-en-2-yl 3-methylbut-2-enoate
SMILES: [H][C@@]12CCC(=C)C(=O)C[C@](C)(CCC=C(C)C)C=C[C@@H](OC(=O)C=C(C)C)[C@]1(C)O2
SMILES: [H][C@@]12CCC(=C)C(=O)C[C@](C)(CCC=C(C)C)C=C[C@@H](OC(=O)C=C(C)C)[C@]1(C)O2
InChI key: MNRDTUSOZNXFSE-MFYODDQASA-N
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