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- ChemComp-C7H: 4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: C7H
NameName: 4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine
Synonyms: Cyproheptadine
Commentmedication*YM

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Chemical information

Composition
Formula: C21H21N / Number of atoms: 43 / Formula weight: 287.398 / Formal charge: 0
Others

5ayf

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: C7H / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5AYF
History
Create componentAug 25, 2015
Initial releaseApr 27, 2016
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / 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 3.385CN1CCC(CC1)=C2c3ccccc3C=Cc4ccccc24
OpenEye OEToolkits 1.9.2CN1CCC(=C2c3ccccc3C=Cc4c2cccc4)CC1

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SMILES CANONICAL

CACTVS 3.385CN1CCC(CC1)=C2c3ccccc3C=Cc4ccccc24
OpenEye OEToolkits 1.9.2CN1CCC(=C2c3ccccc3C=Cc4c2cccc4)CC1

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InChI

InChI 1.03InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3

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InChIKey

InChI 1.03JJCFRYNCJDLXIK-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-5ayf:
Crystal structure of SET7/9 in complex with cyproheptadine

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