293995

Source:http://linkedlifedata.com/resource/chembl/compound/293995

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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/C21H23NO5/c1-2-12-22-16-8-4-6-10-18(16)27-19(21(22)25)11-13-26-17-9-5-3-7-15(17)14-20(23)24/h3-10,19H,2,11-14H2,1H3,(H,23,24)
chemicalCompound:standardIn...	QUXLNVJRKGBIFE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCN1C(=O)C(CCOc2ccccc2CC(=O)O)Oc3ccccc13
chemicalCompound:molecularF...	C21 H23 N O5
chemicalCompound:moleculeId	293995
chemicalCompound:mwFreebase	369.411
chemicalCompound:alogp	3.192
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	76.07
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.141
chemicalCompound:acdLogP	3.137
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	369.411
chemicalCompound:acdMostBpk...	1.287
chemicalCompound:chemblId	CHEMBL174999
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:393995
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:861184