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- ChemComp-FZM: 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole -

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Basic information

EntryDatabase: PDB chemical components / ID: FZM
NameName: 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

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Chemical information

Composition
Formula: C12H12N2 / Number of atoms: 26 / Formula weight: 184.237 / Formal charge: 0
Others

6d9x

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FZM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6D9X
History
Create componentMay 1, 2018
Modify formulaMay 2, 2018
Modify formulaMay 3, 2018
Initial releaseSep 5, 2018
External linksUniChem / ChemSpider / BindingDB / ChEMBL / 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 12.01c1cccc(c1)c2nc3n(c2)CCC3
CACTVS 3.385C1Cn2cc(nc2C1)c3ccccc3
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2cn3c(n2)CCC3

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SMILES CANONICAL

CACTVS 3.385C1Cn2cc(nc2C1)c3ccccc3
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2cn3c(n2)CCC3

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InChI

InChI 1.03InChI=1S/C12H12N2/c1-2-5-10(6-3-1)11-9-14-8-4-7-12(14)13-11/h1-3,5-6,9H,4,7-8H2

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InChIKey

InChI 1.03PPYLPCSLYXBQRM-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
OpenEye OEToolkits 2.0.62-phenyl-6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazole

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PDB entries

Showing all 1 items

PDB-6d9x:
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design

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