352424

Source:http://linkedlifedata.com/resource/chembl/compound/352424

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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/C16H19N5O4S/c1-9(2)19-26(24,25)11-7-5-10(6-8-11)13-17-12-14(18-13)20(3)16(23)21(4)15(12)22/h5-9,19H,1-4H3,(H,17,18)
chemicalCompound:standardIn...	KVBOFSFJZOSUGM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)NS(=O)(=O)c1ccc(cc1)c2nc3C(=O)N(C)C(=O)N(C)c3[nH]2
chemicalCompound:molecularF...	C16 H19 N5 O4 S
chemicalCompound:moleculeId	352424
chemicalCompound:mwFreebase	377.418
chemicalCompound:alogp	0.979
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	123.85
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.065
chemicalCompound:acdLogP	1.042
chemicalCompound:acdLogD	0.36
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	377.418
chemicalCompound:chemblId	CHEMBL212626
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:452424
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:1742804, activity:1742806, activity:1742808, activity:1742810, activity:1742811, activity:1742813, activity:1742814