723092

Source:http://linkedlifedata.com/resource/chembl/compound/723092

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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/C16H14N2O2S/c1-10-17-14-8-3-11(9-15(14)21-10)16(19)18-12-4-6-13(20-2)7-5-12/h3-9H,1-2H3,(H,18,19)
chemicalCompound:standardIn...	ANTGCQXXVVWFCQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(NC(=O)c2ccc3nc(C)sc3c2)cc1
chemicalCompound:molecularF...	C16H14N2O2S
chemicalCompound:moleculeId	723092
chemicalCompound:mwFreebase	298.36
chemicalCompound:alogp	2.942
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	79.46
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.22
chemicalCompound:acdLogP	2.671
chemicalCompound:acdLogD	2.671
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	298.36
chemicalCompound:acdMostBpk...	0.92
chemicalCompound:chemblId	CHEMBL1299208
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:823092
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:3802888, activity:3832920, activity:4412157, activity:4732012, activity:4974581, activity:5652147, activity:5871194, activity:6566377, activity:7161752, activity:7410671, activity:7505099