847681

Source:http://linkedlifedata.com/resource/chembl/compound/847681

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/C22H15F4N3OS/c23-15-8-4-5-9-16(15)29-20(30)19-18(27)17-14(22(24,25)26)11-13(28-21(17)31-19)10-12-6-2-1-3-7-12/h1-9,11H,10,27H2,(H,29,30)
chemicalCompound:standardIn...	BLZICZKXDZKEKR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1c(sc2nc(Cc3ccccc3)cc(c12)C(F)(F)F)C(=O)Nc4ccccc4F
chemicalCompound:molecularF...	C22H15F4N3OS
chemicalCompound:moleculeId	847681
chemicalCompound:mwFreebase	445.433
chemicalCompound:alogp	5.199
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	96.25
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.347
chemicalCompound:acdLogP	3.04
chemicalCompound:acdLogD	3.039
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	445.433
chemicalCompound:acdMostBpk...	1.578
chemicalCompound:chemblId	CHEMBL1423797
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:947681
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:3606868, activity:3630791, activity:3647855, activity:3790267, activity:3927092, activity:4028683, activity:4421518, activity:4516850, activity:4591124, activity:4880499, activity:4932751, activity:5344481, activity:5421373, activity:5461362, activity:5505171, activity:5513669, activity:5513754, activity:5533236, activity:5567694, activity:5617432, activity:5920853, activity:6451715, activity:6559006, activity:6694874, activity:6744068, activity:6899491, activity:7029112, activity:7252795, activity:7442992, activity:10664151