728880

Source:http://linkedlifedata.com/resource/chembl/compound/728880

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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/C20H20N2O/c1-14-9-11-17(12-10-14)21-20(23)19-13-15(2)22(16(19)3)18-7-5-4-6-8-18/h4-13H,1-3H3,(H,21,23)
chemicalCompound:standardIn...	PHEHYVPQUHDIAN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(NC(=O)c2cc(C)n(c2C)c3ccccc3)cc1
chemicalCompound:molecularF...	C20H20N2O
chemicalCompound:moleculeId	728880
chemicalCompound:mwFreebase	304.386
chemicalCompound:alogp	4.268
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	34.03
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.992
chemicalCompound:acdLogP	3.619
chemicalCompound:acdLogD	3.619
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	304.386
chemicalCompound:acdMostBpk...	0.972
chemicalCompound:chemblId	CHEMBL1304996
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:828880
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:3648184, activity:3760222, activity:3816241, activity:3854093, activity:3891348, activity:3894765, activity:4051223, activity:4095901, activity:4157888, activity:4280481, activity:4523372, activity:4612336, activity:4760517, activity:4792334, activity:4870112, activity:4899285, activity:5504498, activity:5621269, activity:5666289, activity:5767241, activity:5786109, activity:5847977, activity:5928027, activity:6765665, activity:7074082, activity:7417494, activity:7434801, activity:7468517, activity:7543627