977902

Source:http://linkedlifedata.com/resource/chembl/compound/977902

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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/C15H15F3N4O/c1-10(23)20-6-7-21-14-12(8-19-9-22-14)11-4-2-3-5-13(11)15(16,17)18/h2-5,8-9H,6-7H2,1H3,(H,20,23)(H,19,21,22)
chemicalCompound:standardIn...	QNCGHYCNQZHMNV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)NCCNc1ncncc1c2ccccc2C(F)(F)F
chemicalCompound:molecularF...	C15H15F3N4O
chemicalCompound:moleculeId	977902
chemicalCompound:mwFreebase	324.301
chemicalCompound:alogp	2.052
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	66.91
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.613
chemicalCompound:acdLogD	1.612
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	324.301
chemicalCompound:acdMostBpk...	4.983
chemicalCompound:chemblId	CHEMBL1554018
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1077902
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:3691640, activity:3729640, activity:3911972, activity:3927170, activity:4714941, activity:4877157, activity:4949192, activity:5078541, activity:5574741, activity:5997525, activity:6004592, activity:6016735, activity:6037471, activity:6061720, activity:6430987