597

Source:http://linkedlifedata.com/resource/chembl/compound/597

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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/C16H16N4O2S/c1-20(2)14-8-3-7-13-12(14)6-4-9-15(13)23(21,22)19-16-17-10-5-11-18-16/h3-11H,1-2H3,(H,17,18,19)
chemicalCompound:standardIn...	MSQQFEVXXADDJG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ncccn3
chemicalCompound:molecularF...	C16 H16 N4 O2 S
chemicalCompound:moleculeId	597
chemicalCompound:mwFreebase	328.389
chemicalCompound:alogp	2.13
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	83.57
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.487
chemicalCompound:acdLogP	0.896
chemicalCompound:acdLogD	0.019
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	328.389
chemicalCompound:acdMostBpk...	3.45
chemicalCompound:chemblId	CHEMBL6468
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100597
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:461514, activity:461515