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Yorodumi- ChemComp-J4F: 3-[4-[[1-[(4-chloranyl-1H-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: J4F |
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Name | Name: Synonyms: 3-(4-((1-((4-chloro-1H-indol-2-yl)methyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-6-methylpyrimidin-2-yl)propanoic acid |
-Chemical information
Composition | Formula: C24H23ClN8O4 / Number of atoms: 60 / Formula weight: 522.944 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: J4F / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7EHN | ||||
History |
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External links | UniChem / ChEMBL / PubChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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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-7ehn:
Human MTHFD2 in complex with compound 21 and 9