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- ChemComp-0W7: 2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-N-phenylac... -

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Basic information

EntryDatabase: PDB chemical components / ID: 0W7
NameName: 2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-N-phenylacetamide

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Chemical information

Composition
Formula: C16H18N4O3 / Number of atoms: 41 / Formula weight: 314.339 / Formal charge: 0
Others

4g11

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 0W7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4G11
History
Create componentJul 19, 2012
Initial releaseNov 9, 2012
External linksUniChem / ChemSpider / BindingDB / ChEMBL / 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 12.01O=C1C=C(N=C(N1)CC(=O)Nc2ccccc2)N3CCOCC3
CACTVS 3.370O=C(CC1=NC(=CC(=O)N1)N2CCOCC2)Nc3ccccc3
OpenEye OEToolkits 1.7.6c1ccc(cc1)NC(=O)CC2=NC(=CC(=O)N2)N3CCOCC3

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SMILES CANONICAL

CACTVS 3.370O=C(CC1=NC(=CC(=O)N1)N2CCOCC2)Nc3ccccc3
OpenEye OEToolkits 1.7.6c1ccc(cc1)NC(=O)CC2=NC(=CC(=O)N2)N3CCOCC3

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InChI

InChI 1.03InChI=1S/C16H18N4O3/c21-15(17-12-4-2-1-3-5-12)10-13-18-14(11-16(22)19-13)20-6-8-23-9-7-20/h1-5,11H,6-10H2,(H,17,21)(H,18,19,22)

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InChIKey

InChI 1.03FPFCFOIMTFHSNY-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-N-phenylacetamide
OpenEye OEToolkits 1.7.62-(4-morpholin-4-yl-6-oxidanylidene-1H-pyrimidin-2-yl)-N-phenyl-ethanamide

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PDB entries

Showing all 1 items

PDB-4g11:
X-ray structure of PI3K-gamma bound to a 4-(morpholin-4-yl)- (6-oxo-1,6-dihydropyrimidin-2-yl)amide inhibitor

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