50917

Source:http://linkedlifedata.com/resource/chembl/compound/50917

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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/C21H21N5O2S/c1-26(2)29(27,28)16-7-5-15(6-8-16)24-21-17-9-3-13(22)11-19(17)25-20-12-14(23)4-10-18(20)21/h3-12H,22-23H2,1-2H3,(H,24,25)
chemicalCompound:standardIn...	JRGOBMIUUAJJDR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)S(=O)(=O)c1ccc(Nc2c3ccc(N)cc3nc4cc(N)ccc24)cc1
chemicalCompound:molecularF...	C21 H21 N5 O2 S
chemicalCompound:moleculeId	50917
chemicalCompound:mwFreebase	407.489
chemicalCompound:alogp	2.527
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	122.72
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.958
chemicalCompound:acdLogD	0.483
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	407.489
chemicalCompound:acdMostBpk...	11.322
chemicalCompound:chemblId	CHEMBL287878
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:150917
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:1048499, activity:1048500, activity:1048501