870960

Source:http://linkedlifedata.com/resource/chembl/compound/870960

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/C21H17BrFN3O2S/c22-16-5-1-14(2-6-16)20-13-21(15-3-7-17(23)8-4-15)26(25-20)18-9-11-19(12-10-18)29(24,27)28/h1-12,21H,13H2,(H2,24,27,28)
chemicalCompound:standardIn...	DQGIJMOOKDUPSB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3ccc(F)cc3)c4ccc(Br)cc4
chemicalCompound:molecularF...	C21H17BrFN3O2S
chemicalCompound:moleculeId	870960
chemicalCompound:mwFreebase	474.346
chemicalCompound:alogp	4.84
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	84.14
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.386
chemicalCompound:acdLogP	2.917
chemicalCompound:acdLogD	2.916
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	474.346
chemicalCompound:chemblId	CHEMBL1447076
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:970960
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:3621187, activity:3630341, activity:3631483, activity:3709130, activity:3736788, activity:3766284, activity:3803608, activity:3954116, activity:3954979, activity:4007155, activity:4009488, activity:4016597, activity:4080882, activity:4131945, activity:4206814, activity:4400634, activity:4466130, activity:4539963, activity:4603960, activity:4703833, activity:4803636, activity:4817574, activity:4847344, activity:4847914, activity:4852595, activity:4876716, activity:4904562, activity:4921564, activity:4978587, activity:4990383, activity:5005044, activity:5053704, activity:5343747, activity:5354371, activity:5397313, activity:5467255, activity:5511668, activity:5581932, activity:5688982, activity:5800660, activity:5880902, activity:5967595, activity:5973804, activity:6461514, activity:6540478, activity:6758583, activity:6808957, activity:7037240, activity:7057258, activity:7187832, activity:7222743, activity:7309854, activity:7356664, activity:7506538, activity:7522870, activity:7557315, activity:9351439, activity:10106368, activity:10642881