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- ChemComp-FCC: 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one -

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Basic information

EntryDatabase: PDB chemical components / ID: FCC
NameName: 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one / Synonyms: Linopirdine

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Chemical information

Composition
Formula: C26H21N3O / Number of atoms: 51 / Formula weight: 391.464 / Formal charge: 0
Others

7byn

Type: non-polymer / PDB classification: HETAIN / Three letter code: FCC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7BYN
History
Create componentApr 27, 2020
Initial releaseDec 2, 2020
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / ChEBI / ChEMBL / ChemicalBook / CompTox / 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 3.385O=C1N(c2ccccc2)c3ccccc3C1(Cc4ccncc4)Cc5ccncc5
OpenEye OEToolkits 2.0.7c1ccc(cc1)N2c3ccccc3C(C2=O)(Cc4ccncc4)Cc5ccncc5

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SMILES CANONICAL

CACTVS 3.385O=C1N(c2ccccc2)c3ccccc3C1(Cc4ccncc4)Cc5ccncc5
OpenEye OEToolkits 2.0.7c1ccc(cc1)N2c3ccccc3C(C2=O)(Cc4ccncc4)Cc5ccncc5

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InChI

InChI 1.03InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2

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InChIKey

InChI 1.03YEJCDKJIEMIWRQ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7byn:
Cryo-EM structure of human KCNQ4 with linopirdine

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