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Yorodumi- ChemComp-I2H: 5-{[(2S)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrim... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: I2H |
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Name | Name: |
-Chemical information
Composition | Formula: C19H22N4O3 / Number of atoms: 48 / Formula weight: 354.403 / Formal charge: 0 | ||||||||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: I2H / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3FRA | ||||||||||||||
History |
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External links | BindingDB / UniChem / Brenda / ChEBI / ChEMBL / DrugBank / Nikkaji / 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 1.7.6 | |
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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-3fra:
Staphylococcus aureus F98Y DHFR complexed with iclaprim