294539

Source:http://linkedlifedata.com/resource/chembl/compound/294539

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C25H19ClO6/c1-30-19-9-4-16(5-10-19)24(27)20(12-15-2-7-18(26)8-3-15)23(25(28)29)17-6-11-21-22(13-17)32-14-31-21/h2-11,13H,12,14H2,1H3,(H,28,29)/b23-20-
chemicalCompound:standardIn...	KJMNYKCMEMNAJP-ATJXCDBQSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)C(=O)\C(=C(/C(=O)O)\c2ccc3OCOc3c2)\Cc4ccc(Cl)cc4
chemicalCompound:molecularF...	C25 H19 Cl O6
chemicalCompound:moleculeId	294539
chemicalCompound:mwFreebase	450.868
chemicalCompound:alogp	5.642
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	82.06
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.433
chemicalCompound:acdLogP	5.603
chemicalCompound:acdLogD	1.879
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	450.868
chemicalCompound:chemblId	CHEMBL366442
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:394539
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:975596