1062422

Source:http://linkedlifedata.com/resource/chembl/compound/1062422

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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/C26H19F3N4O/c27-26(28,29)24-14-23(33(32-24)20-10-8-19(9-11-20)31-25(34)15-30)18-7-12-22-17(13-18)6-5-16-3-1-2-4-21(16)22/h1-14H,15,30H2,(H,31,34)
chemicalCompound:standardIn...	YULUCECVQOCQFQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NCC(=O)Nc1ccc(cc1)n2nc(cc2c3ccc4c(ccc5ccccc45)c3)C(F)(F)F
chemicalCompound:molecularF...	C26H19F3N4O
chemicalCompound:moleculeId	1062422
chemicalCompound:mwFreebase	460.45
chemicalCompound:alogp	5.212
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	72.94
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.285
chemicalCompound:acdLogP	4.104
chemicalCompound:acdLogD	4.011
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	460.45
chemicalCompound:acdMostBpk...	7.473
chemicalCompound:chemblId	CHEMBL1650595
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1162422
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:5175274, activity:5175275, activity:5175276, activity:5175277, activity:5175278, activity:5175279, activity:5175280, activity:5175281, activity:5175282, activity:5175283, activity:5175284, activity:5175285, activity:5175286, activity:5175287, activity:5175288, activity:5175289, activity:5175290, activity:5175291, activity:5175292, activity:5175293, activity:5175294, activity:5175295, activity:5175296, activity:5175297, activity:5175298, activity:5175299, activity:5175300, activity:5175301, activity:5175302, activity:5175303