415050

Source:http://linkedlifedata.com/resource/chembl/compound/415050

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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/C20H13ClF3N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
chemicalCompound:standardIn...	BTAQQMMTAQWGCF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ncnc2occ(c3ccc(NC(=O)Nc4cc(ccc4Cl)C(F)(F)F)cc3)c12
chemicalCompound:molecularF...	C20 H13 Cl F3 N5 O2
chemicalCompound:moleculeId	415050
chemicalCompound:mwFreebase	447.798
chemicalCompound:alogp	4.164
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	106.07
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.748
chemicalCompound:acdLogP	4.009
chemicalCompound:acdLogD	4.006
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	447.798
chemicalCompound:acdMostBpk...	4.772
chemicalCompound:chemblId	CHEMBL437369
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:515050
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:2021663, activity:2021670