456444

Source:http://linkedlifedata.com/resource/chembl/compound/456444

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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/C21H24ClFN4O3S/c1-31(28,29)11-9-24-8-2-3-10-30-16-5-7-20-17(13-16)21(26-14-25-20)27-15-4-6-19(23)18(22)12-15/h4-7,12-14,24H,2-3,8-11H2,1H3,(H,25,26,27)
chemicalCompound:standardIn...	SPEQBPSZWOMRLO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
chemicalCompound:molecularF...	C21H24ClFN4O3S
chemicalCompound:moleculeId	456444
chemicalCompound:mwFreebase	466.957
chemicalCompound:alogp	3.536
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	101.59
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.952
chemicalCompound:acdLogD	3.099
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	466.957
chemicalCompound:acdMostBpk...	8.2
chemicalCompound:chemblId	CHEMBL460731
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:556444
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:198300, activity:198301, activity:198302, activity:198303, activity:2390148