Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LHN4W2
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| Ligand Name |
(8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)
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| Synonyms |
CHEMBL4163069; (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name); SCHEMBL19053155; BDBM50368977
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| Structure |
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Download2D MOL |
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| Formula |
C32H41NO2
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| Canonical SMILES |
CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C#CC(C)(C)C)O)C5=CC=C(C=C5)N(C)C
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| InChI |
1S/C32H41NO2/c1-30(2,3)17-18-32(35)16-15-28-26-13-9-22-19-24(34)12-14-25(22)29(26)27(20-31(28,32)4)21-7-10-23(11-8-21)33(5)6/h7-8,10-11,19,26-28,35H,9,12-16,20H2,1-6H3/t26-,27+,28-,31-,32+/m0/s1
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| InChIKey |
MKYOYWSMPLRHDW-SSKMXYOESA-N
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| PubChem Compound ID | ||||
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