547137

Source:http://linkedlifedata.com/resource/chembl/compound/547137

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:665961
chemicalCompound:standardIn...	InChI=1S/C20H15F3N2O3.ClH/c21-10-1-3-11(4-2-10)24-8-14-16(22)7-13-18(17(14)23)25(12-5-6-12)9-15(19(13)26)20(27)28;/h1-4,7,9,12,24H,5-6,8H2,(H,27,28);1H
chemicalCompound:standardIn...	WTLARKIXFHNXOX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.OC(=O)C1=CN(C2CC2)c3c(F)c(CNc4ccc(F)cc4)c(F)cc3C1=O
chemicalCompound:molecularF...	C20H16ClF3N2O3
chemicalCompound:moleculeId	547137
chemicalCompound:mwFreebase	388.34
chemicalCompound:alogp	3.655
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	69.64
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.373
chemicalCompound:acdLogP	0.492
chemicalCompound:acdLogD	-0.573
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	424.801
chemicalCompound:acdMostBpk...	2.999
chemicalCompound:chemblId	CHEMBL543187
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:647137
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:739244, activity:739245, activity:739246, activity:739247, activity:739248, activity:739249