123019

Source:http://linkedlifedata.com/resource/chembl/compound/123019

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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/C17H16Cl2N2O4/c1-17(2,15(22)23)25-12-6-4-11(5-7-12)20-16(24)21-14-9-10(18)3-8-13(14)19/h3-9H,1-2H3,(H,22,23)(H2,20,21,24)
chemicalCompound:standardIn...	CHTOCCPRFQQDCN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(Oc1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1)C(=O)O
chemicalCompound:molecularF...	C17 H16 Cl2 N2 O4
chemicalCompound:moleculeId	123019
chemicalCompound:mwFreebase	383.226
chemicalCompound:alogp	4.112
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	87.66
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.303
chemicalCompound:acdLogP	2.537
chemicalCompound:acdLogD	-1.047
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	383.226
chemicalCompound:acdMostBpk...	0.591
chemicalCompound:chemblId	CHEMBL76636
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:223019
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:562516, activity:562517, activity:562518, activity:562519, activity:562520, activity:562521, activity:562522, activity:562523