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- ChemComp-BPK: {3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol -

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Basic information

EntryDatabase: PDB chemical components / ID: BPK
NameName: {3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol

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Chemical information

Composition
Formula: C18H17NO3 / Number of atoms: 39 / Formula weight: 295.332 / Formal charge: 0
Others

3vhk

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BPK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3VHK
History
Create componentSep 14, 2011
Initial releaseAug 31, 2012
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 12.01n1c(c(oc1c2ccccc2)C)COc3cc(ccc3)CO
CACTVS 3.370Cc1oc(nc1COc2cccc(CO)c2)c3ccccc3
OpenEye OEToolkits 1.7.2Cc1c(nc(o1)c2ccccc2)COc3cccc(c3)CO

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SMILES CANONICAL

CACTVS 3.370Cc1oc(nc1COc2cccc(CO)c2)c3ccccc3
OpenEye OEToolkits 1.7.2Cc1c(nc(o1)c2ccccc2)COc3cccc(c3)CO

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InChI

InChI 1.03InChI=1S/C18H17NO3/c1-13-17(12-21-16-9-5-6-14(10-16)11-20)19-18(22-13)15-7-3-2-4-8-15/h2-10,20H,11-12H2,1H3

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InChIKey

InChI 1.03UPVJJOGZAKVERR-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01{3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol
OpenEye OEToolkits 1.7.2[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol

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PDB entries

Showing all 1 items

PDB-3vhk:
Crystal structure of the VEGFR2 kinase domain in complex with a back pocket binder

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