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Yorodumi- ChemComp-400: 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-P... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 400 |
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Name | Name: Synonyms: PHA-828300 |
-Chemical information
Composition | Formula: C27H30N6O2S / Number of atoms: 66 / Formula weight: 502.631 / Formal charge: 0 | ||||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 400 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2XRU | ||||||||
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 10.04 | CACTVS 3.352 | OpenEye OEToolkits 1.6.1 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.6.1 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.6.1 | |
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-PDB entries
Showing all 1 items
PDB-2xru:
AURORA-A T288E COMPLEXED WITH PHA-828300