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Yorodumi- ChemComp-2IR: N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyr... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 2IR |
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Name | Name: |
-Chemical information
Composition | Formula: C32H37F3N6O / Number of atoms: 79 / Formula weight: 578.671 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 2IR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7R9C | ||||
History |
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External links | UniChem / ChemSpider / ChEMBL / 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 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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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.7 | ~{ | |
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-PDB entries
Showing all 1 items
PDB-7r9c:
Cocrystal of BRD4(D1) with N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine