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Yorodumi- ChemComp-3O4: N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]etha... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 3O4 |
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Name | Name: |
-Chemical information
Composition | Formula: C22H23N5O2 / Number of atoms: 52 / Formula weight: 389.45 / Formal charge: 0 | ||||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 3O4 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4BBE | ||||||||
History |
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External links | BindingDB / UniChem / ChEMBL / PubChem / PubChem_TPharma / 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 1 items
PDB-4bbe:
Aminoalkylpyrimidine Inhibitor Complexes with JAK2