Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L6AM3Y
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| Ligand Name |
(5aS,6S,9aS)-7-hydroxy-2,6,9a-trimethyl-3-pyridin-3-yl-5,5a,6,9-tetrahydro-4H-benzo[g]indazole-8-carbonitrile
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| Structure |
 |
Download2D MOL |
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| Formula |
C20H22N4O
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| Canonical SMILES |
CC1C2CCC3=C(N(N=C3C2(CC(=C1O)C#N)C)C)C4=CN=CC=C4
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| InChI |
1S/C20H22N4O/c1-12-16-7-6-15-17(13-5-4-8-22-11-13)24(3)23-19(15)20(16,2)9-14(10-21)18(12)25/h4-5,8,11-12,16,25H,6-7,9H2,1-3H3/t12-,16-,20-/m0/s1
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| InChIKey |
IQRJTLOGKWCNQB-APXLUKDGSA-N
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| PubChem Compound ID | ||||
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