14894

Source:http://linkedlifedata.com/resource/chembl/compound/14894

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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/C22H19N3O2/c1-26-19-11-12-21-20(13-19)22(24-15-23-21)25-17-7-9-18(10-8-17)27-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,23,24,25)
chemicalCompound:standardIn...	RARTTYYZTRKYDS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
chemicalCompound:molecularF...	C22H19N3O2
chemicalCompound:moleculeId	14894
chemicalCompound:mwFreebase	357.405
chemicalCompound:alogp	5.028
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	56.27
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.542
chemicalCompound:acdLogD	4.535
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	357.405
chemicalCompound:acdMostBpk...	5.407
chemicalCompound:chemblId	CHEMBL15202
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:114894
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:189084, activity:189085, activity:2390142, activity:7497591