Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
L96ZOD
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Ligand Name |
(17beta)-17-(Cyanomethyl)-2-Methoxyestra-1(10),2,4-Trien-3-Yl Sulfamate
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Synonyms |
CHEMBL408967; (17beta)-17-(Cyanomethyl)-2-Methoxyestra-1(10),2,4-Trien-3-Yl Sulfamate; 3bet; BDBM50372895; DB07596; Q27096817; CTF
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Structure |
Download2D MOL |
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Formula |
C21H28N2O4S
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Canonical SMILES |
CC12CCC3C(C1CCC2CC#N)CCC4=CC(=C(C=C34)OC)OS(=O)(=O)N
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InChI |
1S/C21H28N2O4S/c1-21-9-7-15-16(18(21)6-4-14(21)8-10-22)5-3-13-11-20(27-28(23,24)25)19(26-2)12-17(13)15/h11-12,14-16,18H,3-9H2,1-2H3,(H2,23,24,25)/t14-,15+,16-,18+,21-/m1/s1
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InChIKey |
NTSPHKOMJMBWOU-NNKXXINSSA-N
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PubChem Compound ID |
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