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- ChemComp-5O4: 4-(furan-3-yl)-3-phenyl-2~{H}-pyrazolo[4,3-c]pyridine -

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Basic information

EntryDatabase: PDB chemical components / ID: 5O4
NameName: 4-(furan-3-yl)-3-phenyl-2~{H}-pyrazolo[4,3-c]pyridine

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Chemical information

Composition
Formula: C16H11N3O / Number of atoms: 31 / Formula weight: 261.278 / Formal charge: 0
Others

5ehy

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5O4 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5EHY
History
Create componentOct 29, 2015
Initial releaseApr 20, 2016
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 3.385[nH]1nc2ccnc(c3cocc3)c2c1c4ccccc4
OpenEye OEToolkits 2.0.4c1ccc(cc1)c2c3c(ccnc3c4ccoc4)n[nH]2

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SMILES CANONICAL

CACTVS 3.385[nH]1nc2ccnc(c3cocc3)c2c1c4ccccc4
OpenEye OEToolkits 2.0.4c1ccc(cc1)c2c3c(ccnc3c4ccoc4)n[nH]2

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InChI

InChI 1.03InChI=1S/C16H11N3O/c1-2-4-11(5-3-1)16-14-13(18-19-16)6-8-17-15(14)12-7-9-20-10-12/h1-10H,(H,18,19)

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InChIKey

InChI 1.03DRFVQTUGIGMXRH-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.44-(furan-3-yl)-3-phenyl-2~{H}-pyrazolo[4,3-c]pyridine

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PDB entries

Showing all 1 items

PDB-5ehy:
Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach

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