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- ChemComp-6JH: 2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine -

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Basic information

EntryDatabase: PDB chemical components / ID: 6JH
NameName: 2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine

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Chemical information

Composition
Formula: C17H11N3OS / Number of atoms: 33 / Formula weight: 305.354 / Formal charge: 0
Others

5j4v

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6JH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5J4V
History
Create componentApr 14, 2016
Initial releaseJul 20, 2016
External linksUniChem / ChemSpider / BindingDB / ChEMBL / PubChem / 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 12.01c1ccccc1Oc4c(c3nc2ccncc2s3)cccn4
CACTVS 3.385O(c1ccccc1)c2ncccc2c3sc4cnccc4n3
OpenEye OEToolkits 2.0.4c1ccc(cc1)Oc2c(cccn2)c3nc4ccncc4s3

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SMILES CANONICAL

CACTVS 3.385O(c1ccccc1)c2ncccc2c3sc4cnccc4n3
OpenEye OEToolkits 2.0.4c1ccc(cc1)Oc2c(cccn2)c3nc4ccncc4s3

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InChI

InChI 1.03InChI=1S/C17H11N3OS/c1-2-5-12(6-3-1)21-16-13(7-4-9-19-16)17-20-14-8-10-18-11-15(14)22-17/h1-11H

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InChIKey

InChI 1.03BEFVRNYCLDLVCZ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine
OpenEye OEToolkits 2.0.42-(2-phenoxypyridin-3-yl)-[1,3]thiazolo[5,4-c]pyridine

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PDB entries

Showing all 1 items

PDB-5j4v:
The crystal structure of Inhibitor Bound to JCV Helicase

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