568926

Source:http://linkedlifedata.com/resource/chembl/compound/568926

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C13H10F3N3/c14-13(15,16)10-5-4-8-12(9-10)18-19-17-11-6-2-1-3-7-11/h1-9H,(H,17,18)
chemicalCompound:standardIn...	LKBXNIQWGOHADP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	FC(F)(F)c1cccc(NN=Nc2ccccc2)c1
chemicalCompound:molecularF...	C13H10F3N3
chemicalCompound:moleculeId	568926
chemicalCompound:mwFreebase	265.234
chemicalCompound:alogp	4.526
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	36.75
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.56
chemicalCompound:acdLogD	4.56
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	265.234
chemicalCompound:acdMostBpk...	0.071
chemicalCompound:chemblId	CHEMBL573611
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668926
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:2913489, activity:2913535, activity:2913593, activity:2913651, activity:2913709, activity:2913767, activity:2914197, activity:2914255, activity:2914288, activity:2914346, activity:2914404, activity:2914486, activity:2914506, activity:2914527, activity:2914548