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Yorodumi- ChemComp-953: 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 953 |
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Name | Name: |
-Chemical information
Composition | Formula: C16H11ClF3N5O / Number of atoms: 37 / Formula weight: 381.74 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 953 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4D0X | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | |
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-PDB entries
Showing all 1 items
PDB-4d0x:
Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors