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Yorodumi- ChemComp-8A6: 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: 8A6 |
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Name | Name: Synonyms: 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-(phenylmethyl)benzenesulfonamide |
-Chemical information
Composition | Formula: C32H30F3N5O3S / Number of atoms: 74 / Formula weight: 621.673 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 8A6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5XMQ | ||||||
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-5xmq:
Plasmodium vivax SHMT(C346A) bound with PLP-glycine and MF011