939053

Source:http://linkedlifedata.com/resource/chembl/compound/939053

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C24H21FN4OS/c25-20-5-2-1-4-18(20)15-31-24-28-21-6-3-13-26-22(21)29(24)14-16-7-9-17(10-8-16)23(30)27-19-11-12-19/h1-10,13,19H,11-12,14-15H2,(H,27,30)
chemicalCompound:standardIn...	RPFNMCFPHGOMSG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccccc1CSc2nc3cccnc3n2Cc4ccc(cc4)C(=O)NC5CC5
chemicalCompound:molecularF...	C24H21FN4OS
chemicalCompound:moleculeId	939053
chemicalCompound:mwFreebase	432.513
chemicalCompound:alogp	4.753
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	85.11
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.814
chemicalCompound:acdLogD	3.814
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	432.513
chemicalCompound:acdMostBpk...	3.529
chemicalCompound:chemblId	CHEMBL1515169
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1039053
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:3609839, activity:3814311, activity:4663057, activity:4822663, activity:4927142, activity:5453703, activity:7006521, activity:7210192, activity:7420890