Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L79ZML
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| Ligand Name |
3-[(6aS,7S,9S,10aS)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5H)-yl]benzoic acid
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| Synonyms |
3-[(6aS,7S,9S,10aS)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5H)-yl]benzoic acid
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| Structure |
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Download2D MOL |
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| Formula |
C27H24N4O3
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| Canonical SMILES |
CC1C2CCC3=CN=C(N=C3C2(CC(C1=O)C#N)C4=CC=CC(=C4)C(=O)O)NC5=CC=CC=C5
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| InChI |
1S/C27H24N4O3/c1-16-22-11-10-18-15-29-26(30-21-8-3-2-4-9-21)31-24(18)27(22,13-19(14-28)23(16)32)20-7-5-6-17(12-20)25(33)34/h2-9,12,15-16,19,22H,10-11,13H2,1H3,(H,33,34)(H,29,30,31)/t16-,19-,22-,27+/m0/s1
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| InChIKey |
MJZJSVVSZUVNQP-RIMKCHMMSA-N
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| PubChem Compound ID | ||||
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