730934

Source:http://linkedlifedata.com/resource/chembl/compound/730934

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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/C20H18ClN3O3S/c1-2-14-8-10-16(11-9-14)23-19(25)18-17(21)12-22-20(24-18)28(26,27)13-15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,23,25)
chemicalCompound:standardIn...	MGUHUZDKJLVYSS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc3ccccc3)cc1
chemicalCompound:molecularF...	C20H18ClN3O3S
chemicalCompound:moleculeId	730934
chemicalCompound:mwFreebase	415.893
chemicalCompound:alogp	4.501
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	97.4
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.723
chemicalCompound:acdLogP	4.618
chemicalCompound:acdLogD	4.616
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	415.893
chemicalCompound:acdMostBpk...	0.692
chemicalCompound:chemblId	CHEMBL1307050
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:830934
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:3806082, activity:3838131, activity:4092385, activity:4253060, activity:4318724, activity:4438333, activity:4477952, activity:4573775, activity:4915690, activity:4954556, activity:5330039, activity:5536015, activity:5553074, activity:5564115, activity:5571351, activity:5591396, activity:5714795, activity:5863953, activity:5906955, activity:5976356, activity:6538231, activity:6596061, activity:6754127, activity:6769350, activity:7151922, activity:7198946, activity:7246164, activity:7392539, activity:7450261, activity:7461665, activity:7546493, activity:8282993, activity:10319757, activity:10401941, activity:10616960, activity:10797138