118028

Source:http://linkedlifedata.com/resource/chembl/compound/118028

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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/C15H13ClN4S/c1-20(19-11-7-3-2-4-8-11)15-18-17-14(21-15)12-9-5-6-10-13(12)16/h2-10,19H,1H3
chemicalCompound:standardIn...	XBQWNRLGDALTKM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(Nc1ccccc1)c2nnc(s2)c3ccccc3Cl
chemicalCompound:molecularF...	C15 H13 Cl N4 S
chemicalCompound:moleculeId	118028
chemicalCompound:mwFreebase	316.809
chemicalCompound:alogp	4.034
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	69.28
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.587
chemicalCompound:acdLogD	4.587
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	316.809
chemicalCompound:acdMostBpk...	1.846
chemicalCompound:chemblId	CHEMBL310815
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:218028
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:107550, activity:107551, activity:107552