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Yorodumi- ChemComp-Z96: tert-butyl 4-{(11S)-8-chloro-6-[(R)-hydroxy(1-methyl-1H-imidazol-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: Z96 |
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Name | Name: Synonyms: 1,1-DIMETHYLETHYL 4-[8-CHLORO-6-[HYDROXY(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-11H-BENZO[5,6]CYCLOHEPTA[1,2-b]PYRIDIN-11(S)-YL]-1-PIPERAZINECARBOXYLATE |
-Chemical information
Composition | Formula: C28H32ClN5O3 / Number of atoms: 69 / Formula weight: 522.038 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: Z96 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3KSQ | ||||||||
History |
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External links | UniChem / BindingDB / ChEMBL / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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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-3ksq:
Discovery of C-Imidazole Azaheptapyridine FPT Inhibitors