52802

Source:http://linkedlifedata.com/resource/chembl/compound/52802

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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/C21H17NO2/c1-16(15-22-14-6-5-9-20(22)23)21(24)19-12-10-18(11-13-19)17-7-3-2-4-8-17/h2-14H,1,15H2
chemicalCompound:standardIn...	ZVRYZEXHWLNWSN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C=C(CN1C=CC=CC1=O)C(=O)c2ccc(cc2)c3ccccc3
chemicalCompound:molecularF...	C21 H17 N O2
chemicalCompound:moleculeId	52802
chemicalCompound:mwFreebase	315.365
chemicalCompound:alogp	3.381
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	37.38
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.359
chemicalCompound:acdLogD	3.359
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	315.365
chemicalCompound:chemblId	CHEMBL36868
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:152802
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:33224, activity:33225, activity:33226