Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LBL78N
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| Ligand Name |
(6aR,9R,10aR)-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyloctan-2-yl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
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| Synonyms |
CHEMBL5085420; AM-841; (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol; GTPL9613; BDBM50582403; (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
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| Structure |
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Download2D MOL |
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| Formula |
C26H39NO3S
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| Canonical SMILES |
CC1(C2CCC(CC2C3=C(C=C(C=C3O1)C(C)(C)CCCCCCN=C=S)O)CO)C
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| InChI |
1S/C26H39NO3S/c1-25(2,11-7-5-6-8-12-27-17-31)19-14-22(29)24-20-13-18(16-28)9-10-21(20)26(3,4)30-23(24)15-19/h14-15,18,20-21,28-29H,5-13,16H2,1-4H3/t18-,20-,21-/m1/s1
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| InChIKey |
JCIYJYHFBBXSBF-HMXCVIKNSA-N
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| PubChem Compound ID | ||||
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