50954

Source:http://linkedlifedata.com/resource/chembl/compound/50954

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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/C20H19N5O2S/c1-23-28(26,27)15-6-4-14(5-7-15)24-20-16-8-2-12(21)10-18(16)25-19-11-13(22)3-9-17(19)20/h2-11,23H,21-22H2,1H3,(H,24,25)
chemicalCompound:standardIn...	AVPYNABDMYYIMV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNS(=O)(=O)c1ccc(Nc2c3ccc(N)cc3nc4cc(N)ccc24)cc1
chemicalCompound:molecularF...	C20 H19 N5 O2 S
chemicalCompound:moleculeId	50954
chemicalCompound:mwFreebase	393.462
chemicalCompound:alogp	2.321
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	131.51
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.715
chemicalCompound:acdLogP	1.95
chemicalCompound:acdLogD	-0.53
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	393.462
chemicalCompound:acdMostBpk...	11.428
chemicalCompound:chemblId	CHEMBL35072
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:150954
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:1037502, activity:1037503, activity:1037504, activity:1037505, activity:1037506