770168

Source:http://linkedlifedata.com/resource/chembl/compound/770168

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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/C20H20N2O3S/c1-13-9-14(2)11-17(10-13)22-26(23,24)18-7-5-15(6-8-18)19-12-21-20(25-19)16-3-4-16/h5-12,16,22H,3-4H2,1-2H3
chemicalCompound:standardIn...	CAUXXQUNHCPLIL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(C)cc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)c1
chemicalCompound:molecularF...	C20H20N2O3S
chemicalCompound:moleculeId	770168
chemicalCompound:mwFreebase	368.449
chemicalCompound:alogp	4.015
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	80.58
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.069
chemicalCompound:acdLogP	4.29
chemicalCompound:acdLogD	4.205
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	368.449
chemicalCompound:acdMostBpk...	1.038
chemicalCompound:chemblId	CHEMBL1346284
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:870168
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:3951681, activity:4087606, activity:4660875, activity:4701965, activity:4704724, activity:4761908, activity:4771398, activity:4847631, activity:5584829, activity:5656689, activity:5791737, activity:5856867, activity:5861076, activity:5878761, activity:6653292, activity:7062054, activity:7067715, activity:7188086, activity:7287073, activity:7443404