6'-(acetyloxy)-5-({[2-(icosa-5,8,11,14-tetraenamido)ethoxy]carbonyl}amino)-3-oxospiro[2-benzofuran-1,9'-xanthen]-3'-yl acetate, CAY10455
HIT218638004
sdf文件结构编辑类似物检索
HIT ID: HIT218638004
Cas No:
分子式: C47H52N2O10
分子量: 804.937
常用名: 6'-(acetyloxy)-5-({[2-(icosa-5,8,11,14-tetraenamido)ethoxy]carbonyl}amino)-3-oxospiro[2-benzofuran-1,9'-xanthen]-3'-yl acetate, CAY10455
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 6'-(acetyloxy)-5-({[2-(icosa-5,8,11,14-tetraenamido)ethoxy]carbonyl}amino)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-3'-yl acetate
SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCOC(=O)Nc1ccc2c(c1)C(=O)OC21c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc12
InChI key: LQMHXQGEEUIVLB-UHFFFAOYSA-N
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