1097598

Source:http://linkedlifedata.com/resource/chembl/compound/1097598

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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/C18H18Cl3N3O2S/c1-12-7-9-14(10-8-12)22-16(27)23-15(18(19,20)21)24-17(25)26-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,24,25)(H2,22,23,27)
chemicalCompound:standardIn...	FCWNHTBGFOOASZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1
chemicalCompound:molecularF...	C18H18Cl3N3O2S
chemicalCompound:moleculeId	1097598
chemicalCompound:mwFreebase	446.778
chemicalCompound:alogp	6.214
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	94.48
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.596
chemicalCompound:acdLogP	5.536
chemicalCompound:acdLogD	5.529
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	446.778
chemicalCompound:acdMostBpk...	0.542
chemicalCompound:chemblId	CHEMBL1716867
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1197598
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:5409711, activity:5508841, activity:5530688, activity:5538375, activity:5778043, activity:5855538, activity:5860960, activity:5881661, activity:5973766