914151

Source:http://linkedlifedata.com/resource/chembl/compound/914151

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/C17H10F3N3O2S/c18-17(19,20)13-5-10(2-1-9(13)7-21)22-16-23-14(8-26-16)12-4-3-11(24)6-15(12)25/h1-6,8,24-25H,(H,22,23)
chemicalCompound:standardIn...	KZWUKANMYHSJLO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc(c(O)c1)c2csc(Nc3ccc(C#N)c(c3)C(F)(F)F)n2
chemicalCompound:molecularF...	C17H10F3N3O2S
chemicalCompound:moleculeId	914151
chemicalCompound:mwFreebase	377.34
chemicalCompound:alogp	4.024
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	117.41
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.22
chemicalCompound:acdLogP	3.403
chemicalCompound:acdLogD	3.24
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	377.34
chemicalCompound:acdMostBpk...	2.489
chemicalCompound:chemblId	CHEMBL1490267
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1014151
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:3634009, activity:4208163, activity:4336933, activity:5362768, activity:5400028, activity:5452522, activity:5498374, activity:5511717, activity:5810822, activity:5886070, activity:6453469, activity:6590005, activity:6682575, activity:6857190, activity:7019061, activity:7157908, activity:7173791, activity:7309173, activity:8334523, activity:9770164, activity:10664473, activity:10792857