981971

Source:http://linkedlifedata.com/resource/chembl/compound/981971

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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/C15H16N2O2/c1-11-5-6-13(10-12(11)2)17-15(18)16-8-7-14-4-3-9-19-14/h3-10H,1-2H3,(H2,16,17,18)/b8-7+
chemicalCompound:standardIn...	MFGJTANABRPVDF-BQYQJAHWSA-N
chemicalCompound:canonicalS...	Cc1ccc(NC(=O)N\C=C\c2occc2)cc1C
chemicalCompound:molecularF...	C15H16N2O2
chemicalCompound:moleculeId	981971
chemicalCompound:mwFreebase	256.3
chemicalCompound:alogp	2.832
chemicalCompound:hba	1
chemicalCompound:hbd	2
chemicalCompound:psa	54.27
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.803
chemicalCompound:acdLogP	3.568
chemicalCompound:acdLogD	3.568
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	256.3
chemicalCompound:acdMostBpk...	1
chemicalCompound:chemblId	CHEMBL1558087
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1081971
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:3618601, activity:3672933, activity:3948873, activity:4037280, activity:4143217, activity:4297999, activity:4480177, activity:4563344, activity:4942826, activity:5351194, activity:5501613, activity:5693858, activity:5876223, activity:6000691, activity:6027168, activity:6030494, activity:6033891, activity:6050597, activity:6464909, activity:6497897, activity:6805567, activity:6912825, activity:6963089, activity:7033328, activity:7241307, activity:7375242