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Yorodumi- ChemComp-439: 6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIHYDRO-1H-INDEN-5... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 439 |
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Name | Name: |
-Chemical information
Composition | Formula: C25H26ClN3O3S / Number of atoms: 59 / Formula weight: 484.01 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 439 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2Y80 | ||||||
History |
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External links | UniChem / BindingDB / Brenda / 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 1.6.1 | |
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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
OpenEye OEToolkits 1.6.1 |
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-PDB entries
Showing all 1 items
PDB-2y80:
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs