273606

Source:http://linkedlifedata.com/resource/chembl/compound/273606

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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)7-15(23)22-11-8-13(19)16(21)14(20)9-11/h3-6,8-9H,7H2,1-2H3,(H,22,23)(H,24,25)
chemicalCompound:standardIn...	WHDPKKQAGGOYNY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(Oc1ccc(CC(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)cc1)C(=O)O
chemicalCompound:molecularF...	C18 H16 Cl3 N O4
chemicalCompound:moleculeId	273606
chemicalCompound:mwFreebase	416.683
chemicalCompound:alogp	4.903
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	75.63
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.256
chemicalCompound:acdLogP	4.484
chemicalCompound:acdLogD	0.876
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	416.683
chemicalCompound:chemblId	CHEMBL349914
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:373606
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:167575, activity:292855, activity:292856, activity:292857, activity:292858, activity:292859, activity:292860