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Yorodumi- ChemComp-8A3: 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyran... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 8A3 |
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Name | Name: Synonyms: (s)-3'-(6-amino-5-cyano-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)-5'-(trifluoromethyl)-[1,1'-biphenyl]-4-sulfonamide |
-Chemical information
Composition | Formula: C27H25F6N5O3S / Number of atoms: 67 / Formula weight: 613.575 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 8A3 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5XMP | ||||||
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-5xmp:
Plasmodium vivax SHMT(C346A) bound with PLP-glycine and MF057