46169

Source:http://linkedlifedata.com/resource/chembl/compound/46169

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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/C16H14O4/c1-10(16(17)18)11-6-7-14-15(8-11)20-13-5-3-2-4-12(13)9-19-14/h2-8,10H,9H2,1H3,(H,17,18)
chemicalCompound:standardIn...	MVCHOIZDLNMMOL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C(=O)O)c1ccc2OCc3ccccc3Oc2c1
chemicalCompound:molecularF...	C16 H14 O4
chemicalCompound:moleculeId	46169
chemicalCompound:mwFreebase	270.28
chemicalCompound:alogp	3.254
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	55.76
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.217
chemicalCompound:acdLogP	2.015
chemicalCompound:acdLogD	-1.064
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	270.28
chemicalCompound:chemblId	CHEMBL284705
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:146169
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:1237082, activity:1237083, activity:1237084, activity:1237085, activity:1237086, activity:1237087, activity:1237088, activity:1237089, activity:1237090