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Yorodumi- ChemComp-13L: 3-{4-amino-1-[(3R)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]p... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 13L |
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Name | Name: |
-Chemical information
Composition | Formula: C29H33N7O2 / Number of atoms: 71 / Formula weight: 511.618 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 13L / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4HCU | ||||
History |
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External links | UniChem / ChemSpider / PubChem / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.6 | |
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-PDB entries
Showing all 1 items
PDB-4hcu:
Crystal structure of ITK in complext with compound 40