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- ChemComp-FPH: 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL -

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Basic information

EntryDatabase: PDB chemical components / ID: FPH
NameName: 3-(4-fluorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-B]pyridin-1-ol
Synonyms: 3-(4-FLUOROPHENYL)-1-HYDROXY-2-(PYRIDIN-4-YL)-1H-PYRROLO[3,2-B]PYRIDINE

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Chemical information

Composition
Formula: C18H12FN3O / Number of atoms: 35 / Formula weight: 305.306 / Formal charge: 0
Others

1oz1

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FPH / Model coordinates PDB-ID: 1OZ1
History
Create componentApr 9, 2003
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / DrugBank / PubChem / PubChem_TPharma / SureChEMBL / 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 10.04Fc4ccc(c2c1ncccc1n(O)c2c3ccncc3)cc4
CACTVS 3.341On1c2cccnc2c(c3ccc(F)cc3)c1c4ccncc4
OpenEye OEToolkits 1.5.0c1cc2c(c(c(n2O)c3ccncc3)c4ccc(cc4)F)nc1

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SMILES CANONICAL

CACTVS 3.341On1c2cccnc2c(c3ccc(F)cc3)c1c4ccncc4
OpenEye OEToolkits 1.5.0c1cc2c(c(c(n2O)c3ccncc3)c4ccc(cc4)F)nc1

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InChI

InChI 1.03InChI=1S/C18H12FN3O/c19-14-5-3-12(4-6-14)16-17-15(2-1-9-21-17)22(23)18(16)13-7-10-20-11-8-13/h1-11,23H

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InChIKey

InChI 1.03ZSMYZLKEZDYVPI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.043-(4-fluorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridin-1-ol
OpenEye OEToolkits 1.5.03-(4-fluorophenyl)-1-hydroxy-2-pyridin-4-yl-pyrrolo[3,2-b]pyridine

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PDB entries

Showing all 1 items

PDB-1oz1:
P38 MITOGEN-ACTIVATED KINASE IN COMPLEX WITH 4-AZAINDOLE INHIBITOR

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