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Yorodumi- ChemComp-3C3: 4,4'-(1-PROPYL-1H-1,2,4-TRIAZOLE-3,5-DIYL)BIS(2,5-DIHYDRO-1,2,5-O... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 3C3 |
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Name | Name: |
-Chemical information
Composition | Formula: C9H15N9O2 / Number of atoms: 35 / Formula weight: 281.275 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 3C3 / Model coordinates PDB-ID: 2CGW | ||||
History |
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External links | UniChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 1 items
PDB-2cgw:
Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening