Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LG74DA
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| Ligand Name |
(6aS,7S,10aS)-8-hydroxy-4-methoxy-2,7,10a-trimethyl-6,6a,7,10-tetrahydro-5H-benzo[h]quinazoline-9-carbonitrile
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| Structure |
 |
Download2D MOL |
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| Formula |
C17H21N3O2
|
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| Canonical SMILES |
CC1C2CCC3=C(C2(CC(=C1O)C#N)C)N=C(N=C3OC)C
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| InChI |
1S/C17H21N3O2/c1-9-13-6-5-12-15(19-10(2)20-16(12)22-4)17(13,3)7-11(8-18)14(9)21/h9,13,21H,5-7H2,1-4H3/t9-,13-,17-/m0/s1
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| InChIKey |
LBBXSDQROZEAQX-YHYSRRTLSA-N
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| PubChem Compound ID | ||||
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