854221

Source:http://linkedlifedata.com/resource/chembl/compound/854221

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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/C19H20Cl3N3O2S/c1-12-8-9-13(2)15(10-12)23-17(28)24-16(19(20,21)22)25-18(26)27-11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3,(H,25,26)(H2,23,24,28)
chemicalCompound:standardIn...	ONTVJSXGROTINI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(C)c(NC(=NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)S)c1
chemicalCompound:molecularF...	C19H20Cl3N3O2S
chemicalCompound:moleculeId	854221
chemicalCompound:mwFreebase	460.805
chemicalCompound:alogp	6.419
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	101.52
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.973
chemicalCompound:acdLogP	6.744
chemicalCompound:acdLogD	4.143
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	460.805
chemicalCompound:acdMostBpk...	12.098
chemicalCompound:chemblId	CHEMBL1430337
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:954221
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:3992647, activity:4110255, activity:4527750, activity:4996085, activity:5409686, activity:5465453, activity:5530667, activity:5538333, activity:5741512, activity:5855496, activity:5860122, activity:5881619, activity:5977666, activity:6668342, activity:7112123, activity:7487839