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Yorodumi- ChemComp-TWH: 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: TWH |
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Name | Name: Synonyms: 4-azanyl-7-methyl-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
-Chemical information
Composition | Formula: C13H16N6 / Number of atoms: 35 / Formula weight: 256.306 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: TWH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7BJR | ||||||
History |
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External links | UniChem / ChEMBL / PubChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
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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-PDB entries
Showing all 1 items
PDB-7bjr:
Crystal structure of CHK1-10pt-mutant complex with compound 18