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- ChemComp-N6W: benzo[b][1]benzazepine-11-carboxamide -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: N6W
NameName: benzo[b][1]benzazepine-11-carboxamide
Commentmedication*YM

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Chemical information

Composition
Formula: C15H12N2O / Number of atoms: 30 / Formula weight: 236.269 / Formal charge: 0
Others

6tfb

Type: non-polymer / PDB classification: HETAIN / Three letter code: N6W / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6TFB
History
Create componentNov 14, 2019
Initial releaseFeb 26, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / 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

CACTVS 3.385NC(=O)N1c2ccccc2C=Cc3ccccc13
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N

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SMILES CANONICAL

CACTVS 3.385NC(=O)N1c2ccccc2C=Cc3ccccc13
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N

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InChI

InChI 1.03InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)

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InChIKey

InChI 1.03FFGPTBGBLSHEPO-UHFFFAOYSA-N

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PDB entries

Showing all 2 items

PDB-6tfb:
Carbamazepine binds Frizzled8

PDB-8s9c:
Cryo-EM structure of Nav1.7 with CBZ

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