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Yorodumi- ChemComp-4MR: 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 4MR |
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Name | Name: |
-Chemical information
Composition | Formula: C24H22N6O4 / Number of atoms: 56 / Formula weight: 458.469 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4MR / Ideal coordinates details: OpenEye/OEToolkits V1.4.2 | ||||
History |
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External links | UniChem / ChemSpider / DrugBank / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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-2ovx:
MMP-9 active site mutant with barbiturate inhibitor