231518

Source:http://linkedlifedata.com/resource/chembl/compound/231518

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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/C16H18ClN3OS/c17-13-7-3-4-11(8-13)9-18-15(21)20-16-19-14(10-22-16)12-5-1-2-6-12/h3-4,7-8,10,12H,1-2,5-6,9H2,(H2,18,19,20,21)
chemicalCompound:standardIn...	XBLUIKOFCUAYPE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1cccc(CNC(=O)Nc2nc(cs2)C3CCCC3)c1
chemicalCompound:molecularF...	C16 H18 Cl N3 O S
chemicalCompound:moleculeId	231518
chemicalCompound:mwFreebase	335.852
chemicalCompound:alogp	4.144
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	82.26
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.639
chemicalCompound:acdLogP	5.72
chemicalCompound:acdLogD	4.625
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	335.852
chemicalCompound:acdMostBpk...	3.606
chemicalCompound:chemblId	CHEMBL139351
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:331518
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:1169800, activity:1169801, activity:1169802, activity:1169803