478229

Source:http://linkedlifedata.com/resource/chembl/compound/478229

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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/C27H24ClF3N4O3/c1-16(36)32-11-12-35-24-14-19(33-15-17-3-9-22(28)21(13-17)27(29,30)31)6-10-23(24)34-25(26(35)37)18-4-7-20(38-2)8-5-18/h3-10,13-14,33H,11-12,15H2,1-2H3,(H,32,36)
chemicalCompound:standardIn...	KDRGWBDOBCLUSE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)C2=Nc3ccc(NCc4ccc(Cl)c(c4)C(F)(F)F)cc3N(CCNC(=O)C)C2=O
chemicalCompound:molecularF...	C27H24ClF3N4O3
chemicalCompound:moleculeId	478229
chemicalCompound:mwFreebase	544.953
chemicalCompound:alogp	4.888
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	83.03
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.16
chemicalCompound:acdLogD	4.16
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	544.953
chemicalCompound:acdMostBpk...	1.861
chemicalCompound:chemblId	CHEMBL494748
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:578229
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:2276719, activity:2276773, activity:2276783, activity:2276791, activity:2276799, activity:2276807, activity:2276815, activity:2276823, activity:2913941, activity:2913959