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Yorodumi- ChemComp-XT0: 2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenox... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: XT0 |
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Name | Name: Synonyms: PT512 |
-Chemical information
Composition | Formula: C21H20N4O2 / Number of atoms: 47 / Formula weight: 360.409 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: XT0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5MTR | ||||||
History |
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External links | UniChem / ChemSpider / Brenda / PubChem / ZINC / 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-5mtr:
Crystal structure of M. tuberculosis InhA inhibited by PT512