943368

Source:http://linkedlifedata.com/resource/chembl/compound/943368

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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/C16H20N4O3S/c1-4-23-14(21)10-24-16-19-18-13(20(16)3)9-17-15(22)12-7-5-6-11(2)8-12/h5-8H,4,9-10H2,1-3H3,(H,17,22)
chemicalCompound:standardIn...	DKYJJUXLJVGTHS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1C
chemicalCompound:molecularF...	C16H20N4O3S
chemicalCompound:moleculeId	943368
chemicalCompound:mwFreebase	348.42
chemicalCompound:alogp	2.01
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	111.41
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.442
chemicalCompound:acdLogP	-0.071
chemicalCompound:acdLogD	-0.071
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	348.42
chemicalCompound:acdMostBpk...	1
chemicalCompound:chemblId	CHEMBL1519484
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1043368
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:4216470, activity:5604431, activity:6809688, activity:6906319