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- ChemComp-7Q0: N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 7Q0
NameName: N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide

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Chemical information

Composition
Formula: C19H15FN2O / Number of atoms: 38 / Formula weight: 306.334 / Formal charge: 0
Others

8ijh
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: 7Q0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8IJH
History
Create componentMar 6, 2023
Initial releaseJan 17, 2024
External linksUniChem / ChemSpider / 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 3.385Nc1cc2CCc3cccc(c1NC(=O)c4ccc(F)cc4)c23
OpenEye OEToolkits 2.0.7c1cc2c3c(c1)c(c(cc3CC2)N)NC(=O)c4ccc(cc4)F

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SMILES CANONICAL

CACTVS 3.385Nc1cc2CCc3cccc(c1NC(=O)c4ccc(F)cc4)c23
OpenEye OEToolkits 2.0.7c1cc2c3c(c1)c(c(cc3CC2)N)NC(=O)c4ccc(cc4)F

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InChI

InChI 1.06InChI=1S/C19H15FN2O/c20-14-8-6-12(7-9-14)19(23)22-18-15-3-1-2-11-4-5-13(17(11)15)10-16(18)21/h1-3,6-10H,4-5,21H2,(H,22,23)

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InChIKey

InChI 1.06XFOBJVGGSATXHM-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8x43:
human KCNQ2-CaM-Ebio1-S1 complex in the presence of PIP2

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