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- ChemComp-ZO8: thieno[2,3-c][2,7]naphthyridine -

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Basic information

EntryDatabase: PDB chemical components / ID: ZO8
NameName: thieno[2,3-c][2,7]naphthyridine

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Chemical information

Composition
Formula: C10H6N2S / Number of atoms: 19 / Formula weight: 186.233 / Formal charge: 0
Others

4bi2

Type: non-polymer / PDB classification: HETAIN / Three letter code: ZO8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4BI2
History
Create componentApr 9, 2013
Initial releaseMay 22, 2013
Modify descriptorSep 5, 2014
External linksUniChem / ChemSpider / PubChem / PubChem_TPharma / 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 12.01n2cc1cnccc1c3c2scc3
CACTVS 3.385s1ccc2c1ncc3cnccc23
OpenEye OEToolkits 1.9.2c1cncc2c1c3ccsc3nc2

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SMILES CANONICAL

CACTVS 3.385s1ccc2c1ncc3cnccc23
OpenEye OEToolkits 1.9.2c1cncc2c1c3ccsc3nc2

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InChI

InChI 1.03InChI=1S/C10H6N2S/c1-3-11-5-7-6-12-10-9(8(1)7)2-4-13-10/h1-6H

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InChIKey

InChI 1.03QHMIKZNQCBVQNW-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01thieno[2,3-c][2,7]naphthyridine
OpenEye OEToolkits 1.9.2thieno[2,3-c][2,7]naphthyridine

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PDB entries

Showing all 1 items

PDB-4bi2:
Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor

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