211292

Source:http://linkedlifedata.com/resource/chembl/compound/211292

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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/C16H21N3O2S2/c1-11(20)19-16-18-9-15(23-16)22-10-14-17-8-13(21-14)7-12-5-3-2-4-6-12/h8-9,12H,2-7,10H2,1H3,(H,18,19,20)
chemicalCompound:standardIn...	LOQNAQWIGMNXII-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Nc1ncc(SCc2oc(CC3CCCCC3)cn2)s1
chemicalCompound:molecularF...	C16 H21 N3 O2 S2
chemicalCompound:moleculeId	211292
chemicalCompound:mwFreebase	351.487
chemicalCompound:alogp	2.805
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	121.56
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.281
chemicalCompound:acdLogP	3.616
chemicalCompound:acdLogD	3.611
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	351.487
chemicalCompound:acdMostBpk...	1.403
chemicalCompound:chemblId	CHEMBL126328
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:311292
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:153913, activity:153914, activity:153915, activity:153916