782989

Source:http://linkedlifedata.com/resource/chembl/compound/782989

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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/C17H21NO3/c1-11-14(10-15(21-11)17(2,3)4)16(19)18-12-6-8-13(20-5)9-7-12/h6-10H,1-5H3,(H,18,19)
chemicalCompound:standardIn...	ZIYZVZAQZMUPNU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(NC(=O)c2cc(oc2C)C(C)(C)C)cc1
chemicalCompound:molecularF...	C17H21NO3
chemicalCompound:moleculeId	782989
chemicalCompound:mwFreebase	287.354
chemicalCompound:alogp	3.539
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	51.47
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.679
chemicalCompound:acdLogP	3.138
chemicalCompound:acdLogD	3.138
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	287.354
chemicalCompound:acdMostBpk...	1.208
chemicalCompound:chemblId	CHEMBL1359105
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:882989
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:3621529, activity:3924682, activity:4434153, activity:4619500, activity:4948320, activity:5061613, activity:5373921, activity:5430777, activity:6556106, activity:7222179, activity:7373601