711190

Source:http://linkedlifedata.com/resource/chembl/compound/711190

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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/C20H17ClN4O3S/c1-13-17(7-9-27-13)19-23-24-20(25(19)11-16-6-3-8-28-16)29-12-18(26)22-15-5-2-4-14(21)10-15/h2-10H,11-12H2,1H3,(H,22,26)
chemicalCompound:standardIn...	NMXWXHOXYFDVPX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1occc1c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2Cc4occc4
chemicalCompound:molecularF...	C20H17ClN4O3S
chemicalCompound:moleculeId	711190
chemicalCompound:mwFreebase	428.892
chemicalCompound:alogp	3.723
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	111.39
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.278
chemicalCompound:acdLogP	4.553
chemicalCompound:acdLogD	4.553
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	428.892
chemicalCompound:acdMostBpk...	0.317
chemicalCompound:chemblId	CHEMBL1271933
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:811190
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:3531443, activity:3531468