FD 12-9
HIT212670809
sdf文件结构编辑类似物检索
HIT ID: HIT212670809
Cas No: 1451741-22-2
分子式: C51H47N3O11
分子量: 877.947
常用名: FD 12-9
氢键受体数 (HBA): 12
氢键供体数 (HBD): 0
LogP: 7.7710767
IUPAC: methyl 3-[({4-oxo-2-[4-(2-{2-[2-(4-{4-[(4-oxo-2-phenyl-4H-chromen-7-yl)oxy]butyl}-1H-1,2,3-triazol-1-yl)ethoxy]ethoxy}ethoxy)phenyl]-4H-chromen-3-yl}oxy)methyl]benzoate
IUPAC: methyl 3-[({4-oxo-2-[4-(2-{2-[2-(4-{4-[(4-oxo-2-phenyl-4H-chromen-7-yl)oxy]butyl}-1H-1,2,3-triazol-1-yl)ethoxy]ethoxy}ethoxy)phenyl]-4H-chromen-3-yl}oxy)methyl]benzoate
SMILES: COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1
SMILES: COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1
InChI key: WDTNQVLDVIDALR-UHFFFAOYSA-N
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