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- ChemComp-6JG: N-{4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl}acetamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 6JG
NameName: N-{4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl}acetamide

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Chemical information

Composition
Formula: C20H15N3O2S / Number of atoms: 41 / Formula weight: 361.417 / Formal charge: 0
Others

5j4y

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6JG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5J4Y
History
Create componentApr 14, 2016
Initial releaseJul 20, 2016
External linksUniChem / ChemSpider / BindingDB / 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 12.01c1cc(ccc1Oc2ccccc2c4nc3ccncc3s4)NC(=O)C
CACTVS 3.385CC(=O)Nc1ccc(Oc2ccccc2c3sc4cnccc4n3)cc1
OpenEye OEToolkits 2.0.4CC(=O)Nc1ccc(cc1)Oc2ccccc2c3nc4ccncc4s3

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SMILES CANONICAL

CACTVS 3.385CC(=O)Nc1ccc(Oc2ccccc2c3sc4cnccc4n3)cc1
OpenEye OEToolkits 2.0.4CC(=O)Nc1ccc(cc1)Oc2ccccc2c3nc4ccncc4s3

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InChI

InChI 1.03InChI=1S/C20H15N3O2S/c1-13(24)22-14-6-8-15(9-7-14)25-18-5-3-2-4-16(18)20-23-17-10-11-21-12-19(17)26-20/h2-12H,1H3,(H,22,24)

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InChIKey

InChI 1.03OPOGWEXFOKBMCJ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-{4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl}acetamide
OpenEye OEToolkits 2.0.4~{N}-[4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl]ethanamide

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PDB entries

Showing all 1 items

PDB-5j4y:
The crystal structure of N-(4-(2-(thiazolo[5,4-c]pyridin-2-yl)phenoxy)phenyl)acetamide bound to JCV Helicase

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