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- ChemComp-ONB: 5H-dibenzo[b,f]azepine -

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Basic information

EntryDatabase: PDB chemical components / ID: ONB
NameName: 5H-dibenzo[b,f]azepine

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Chemical information

Composition
Formula: C14H11N / Number of atoms: 26 / Formula weight: 193.244 / Formal charge: 0
Others

3vip

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ONB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3VIP
History
Create componentOct 20, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / Metabolights / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01c3cc2c(C=Cc1c(cccc1)N2)cc3
CACTVS 3.370N1c2ccccc2C=Cc3ccccc13
OpenEye OEToolkits 1.7.2c1ccc2c(c1)C=Cc3ccccc3N2

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SMILES CANONICAL

CACTVS 3.370N1c2ccccc2C=Cc3ccccc13
OpenEye OEToolkits 1.7.2c1ccc2c(c1)C=Cc3ccccc3N2

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InChI

InChI 1.03InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H

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InChIKey

InChI 1.03LCGTWRLJTMHIQZ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.015H-dibenzo[b,f]azepine
OpenEye OEToolkits 1.7.211H-benzo[b][1]benzazepine

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PDB entries

Showing all 1 items

PDB-3vip:
Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with a new glucopyranosidic product

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