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- ChemComp-FZ1: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-yl)quinazoline -

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Basic information

EntryDatabase: PDB chemical components / ID: FZ1
NameName: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-yl)quinazoline

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Chemical information

Composition
Formula: C24H23N5O / Number of atoms: 53 / Formula weight: 397.472 / Formal charge: 0
Others

4iu6

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FZ1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4IU6
History
Create componentFeb 11, 2013
Initial releaseMay 1, 2013
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / Nikkaji / PubChem / 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 12.01n1c(nc4c(c1N3CCN(c2ccc(OC)cc2)CC3)cccc4)c5ncccc5
CACTVS 3.370COc1ccc(cc1)N2CCN(CC2)c3nc(nc4ccccc34)c5ccccn5
OpenEye OEToolkits 1.7.6COc1ccc(cc1)N2CCN(CC2)c3c4ccccc4nc(n3)c5ccccn5

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SMILES CANONICAL

CACTVS 3.370COc1ccc(cc1)N2CCN(CC2)c3nc(nc4ccccc34)c5ccccn5
OpenEye OEToolkits 1.7.6COc1ccc(cc1)N2CCN(CC2)c3c4ccccc4nc(n3)c5ccccn5

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InChI

InChI 1.03InChI=1S/C24H23N5O/c1-30-19-11-9-18(10-12-19)28-14-16-29(17-15-28)24-20-6-2-3-7-21(20)26-23(27-24)22-8-4-5-13-25-22/h2-13H,14-17H2,1H3

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InChIKey

InChI 1.03BNLATJNUBANGFF-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-yl)quinazoline
OpenEye OEToolkits 1.7.64-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-yl-quinazoline

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PDB entries

Showing all 1 items

PDB-4iu6:
Human Methionine Aminopeptidase in complex with FZ1: Pyridinylquinazolines Selectively Inhibit Human Methionine Aminopeptidase-1

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