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Yorodumi- ChemComp-5D1: N-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 5D1 |
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Name | Name: |
-Chemical information
Composition | Formula: C28H35N3O3 / Number of atoms: 69 / Formula weight: 461.596 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5D1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5DLZ | ||||
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 3.385 | OpenEye OEToolkits 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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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 1.9.2 | |
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-PDB entries
Showing all 1 items
PDB-5dlz:
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR 4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-({1-[(3-methylphe methyl]piperidin-4-yl}methyl)butanamide