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Yorodumi- ChemComp-O74: 6-[4-(2-chloroanilino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: O74 |
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Name | Name: |
-Chemical information
Composition | Formula: C20H14ClN3O / Number of atoms: 39 / Formula weight: 347.798 / Formal charge: 0 | ||||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: O74 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4BNX | ||||||||
History |
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External links | UniChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 1.7.6 | ( | |
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-PDB entries
Showing all 1 items
PDB-4bnx:
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 6-(4-(2-chloroanilino)- 1H-quinazolin-2-ylidene)cyclohexa-2, 4-dien-1-one at 2.3A resolution