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- ChemComp-LY2: 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE -

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Basic information

EntryDatabase: PDB chemical components / ID: LY2
NameName: 2-morpholin-4-yl-7-phenyl-4H-chromen-4-one / Synonyms: 2-(4-MORPHOLINYL)-8-PHENYL-4H-1-BENZOPYRAN-4-ONE

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Chemical information

Composition
Formula: C19H17NO3 / Number of atoms: 40 / Formula weight: 307.343 / Formal charge: 0
Others

1e7v

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LY2 / Model coordinates PDB-ID: 1E7V
History
Create componentSep 11, 2000
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / 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 10.04O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4
CACTVS 3.341O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCOCC4

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SMILES CANONICAL

CACTVS 3.341O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCOCC4

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InChI

InChI 1.03InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2

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InChIKey

InChI 1.03CZQHHVNHHHRRDU-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-morpholin-4-yl-8-phenyl-4H-chromen-4-one
OpenEye OEToolkits 1.5.02-morpholin-4-yl-8-phenyl-chromen-4-one

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PDB entries

Showing all 5 items

PDB-1e7v:
Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine

PDB-1yi3:
Crystal Structure of Pim-1 bound to LY294002

PDB-4azt:
Co-crystal structure of WbdD and kinase inhibitor LY294002.

PDB-4cfk:
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH LY294002

PDB-6g0d:
BRD4 (BD1) in complex with APSC-derived ligands (e.g. LY294002)

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