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- ChemComp-QPN: 1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-... -

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Basic information

EntryDatabase: PDB chemical components / ID: QPN
NameName: 1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

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Chemical information

Composition
Formula: C15H16FN3O / Number of atoms: 36 / Formula weight: 273.305 / Formal charge: 0
Others

6ztc

Type: non-polymer / PDB classification: HETAIN / Three letter code: QPN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6ZTC
History
Create componentJul 17, 2020
Initial releaseJul 28, 2021
External linksUniChem / ChemSpider / PubChem / 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 3.385CCC(=O)N1CCc2n(ncc2C1)c3cccc(F)c3
OpenEye OEToolkits 2.0.7CCC(=O)N1CCc2c(cnn2c3cccc(c3)F)C1

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SMILES CANONICAL

CACTVS 3.385CCC(=O)N1CCc2n(ncc2C1)c3cccc(F)c3
OpenEye OEToolkits 2.0.7CCC(=O)N1CCc2c(cnn2c3cccc(c3)F)C1

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InChI

InChI 1.03InChI=1S/C15H16FN3O/c1-2-15(20)18-7-6-14-11(10-18)9-17-19(14)13-5-3-4-12(16)8-13/h3-5,8-9H,2,6-7,10H2,1H3

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InChIKey

InChI 1.03PBPQRCMCEYVHIP-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6ztc:
CRYSTAL STRUCTURE OF PROSTAGLANDIN D2 SYNTHASE IN COMPLEX WITH FRAGMENT 1A AT 1.84A RESOLUTION.

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