274245

Source:http://linkedlifedata.com/resource/chembl/compound/274245

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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/C18H16Cl3NO4/c1-18(2,17(24)25)26-12-5-3-10(4-6-12)9-22-16(23)11-7-13(19)15(21)14(20)8-11/h3-8H,9H2,1-2H3,(H,22,23)(H,24,25)
chemicalCompound:standardIn...	JBXPBNHDQSZVOP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(Oc1ccc(CNC(=O)c2cc(Cl)c(Cl)c(Cl)c2)cc1)C(=O)O
chemicalCompound:molecularF...	C18 H16 Cl3 N O4
chemicalCompound:moleculeId	274245
chemicalCompound:mwFreebase	416.683
chemicalCompound:alogp	4.875
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	75.63
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.242
chemicalCompound:acdLogP	3.593
chemicalCompound:acdLogD	-0.015
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	416.683
chemicalCompound:chemblId	CHEMBL165742
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:374245
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:154102, activity:283089, activity:283090, activity:283091, activity:283092, activity:283093, activity:283094