1091407

Source:http://linkedlifedata.com/resource/chembl/compound/1091407

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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/c1-12-8-9-15(13(2)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...	GEVJSBMETISKOB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c(C)c1
chemicalCompound:molecularF...	C19H20Cl3N3O2S
chemicalCompound:moleculeId	1091407
chemicalCompound:mwFreebase	460.805
chemicalCompound:alogp	6.701
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	94.48
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.597
chemicalCompound:acdLogP	5.641
chemicalCompound:acdLogD	5.634
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	460.805
chemicalCompound:acdMostBpk...	0.543
chemicalCompound:chemblId	CHEMBL1710676
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1191407
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:5409696, activity:5530669, activity:5538340, activity:5855503, activity:5860129, activity:5881626, activity:5977673