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Yorodumi- ChemComp-8B0: (4~{S})-6-azanyl-4-[3-(2-cyanophenyl)-5-(trifluoromethyl)phenyl]-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 8B0 |
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Name | Name: ( Synonyms: (s)-6-amino-4-(2'-cyano-5-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
-Chemical information
Composition | Formula: C25H20F3N5O / Number of atoms: 54 / Formula weight: 463.454 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 8B0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5XMT | ||||||
History |
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External links | UniChem / PubChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-5xmt:
Plasmodium vivax SHMT bound with PLP-glycine and GS380