AM841
HIT218851094
sdf文件结构编辑类似物检索
HIT ID: HIT218851094
Cas No: 871978-21-1
分子式: C26H39NO3S
分子量: 445.66
常用名: AM841
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (6aR,9R,10aR)-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyloctan-2-yl)-6,6-dimethyl-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromen-1-ol
IUPAC: (6aR,9R,10aR)-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyloctan-2-yl)-6,6-dimethyl-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromen-1-ol
SMILES: [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)CCCCCCN=C=S
SMILES: [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)CCCCCCN=C=S
InChI key: JCIYJYHFBBXSBF-HMXCVIKNSA-N
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