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Yorodumi- ChemComp-7RO: tert-butyl 6-((2-chloro-4-(dimethylcarbamoyl)phenyl)amino)-2-(1-m... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 7RO |
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Name | Name: |
-Chemical information
Composition | Formula: C25H27ClN6O3 / Number of atoms: 62 / Formula weight: 494.973 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 7RO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4C4G | ||||||
History |
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External links | BindingDB / UniChem / ChEMBL / Nikkaji / PubChem / SureChEMBL / ZINC / ChemSpider / 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 3 items
PDB-4c4g:
Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1
PDB-4c4h:
Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1
PDB-5ap5:
Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.