646875

Source:http://linkedlifedata.com/resource/chembl/compound/646875

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/C23H17F3N4O2/c24-23(25,26)16-2-1-3-18(14-16)30-22(31)29-17-6-10-20(11-7-17)32-19-8-4-15(5-9-19)21-27-12-13-28-21/h1-14H,(H,27,28)(H2,29,30,31)
chemicalCompound:standardIn...	ATVLERCLNNHVAC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3ccc(cc3)c4ncc[nH]4)cc2)c1
chemicalCompound:molecularF...	C23H17F3N4O2
chemicalCompound:moleculeId	646875
chemicalCompound:mwFreebase	438.402
chemicalCompound:alogp	4.837
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	79.03
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.186
chemicalCompound:acdLogP	5.232
chemicalCompound:acdLogD	5.018
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	438.402
chemicalCompound:acdMostBpk...	6.791
chemicalCompound:chemblId	CHEMBL1165829
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:746875
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:3342351, activity:3342352