1122537

Source:http://linkedlifedata.com/resource/chembl/compound/1122537

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:841
chemicalCompound:standardIn...	InChI=1S/C19H17F3N4S.ClH/c20-19(21,22)13-6-7-15-16(12-13)25-18(27-14-4-2-1-3-5-14)17(24-15)26-10-8-23-9-11-26;/h1-7,12,23H,8-11H2;1H
chemicalCompound:standardIn...	NQXYIFMEVZWYHH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.FC(F)(F)c1ccc2nc(N3CCNCC3)c(Sc4ccccc4)nc2c1
chemicalCompound:molecularF...	C19H18ClF3N4S
chemicalCompound:moleculeId	1122537
chemicalCompound:mwFreebase	390.425
chemicalCompound:alogp	5.016
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	66.35
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.426
chemicalCompound:acdLogD	2.615
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	426.886
chemicalCompound:acdMostBpk...	8.11
chemicalCompound:chemblId	CHEMBL1743966
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222537
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:1041732, activity:1041733, activity:1041734, activity:1041735, activity:1041736, activity:1041737