798634

Source:http://linkedlifedata.com/resource/chembl/compound/798634

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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/C14H11ClN6OS/c1-21-19-13(18-20-21)17-14(23)16-12(22)10-6-2-5-9-8(10)4-3-7-11(9)15/h2-7H,1H3,(H2,16,17,19,22,23)
chemicalCompound:standardIn...	LMBILQUDBWRRPC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cn1nnc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)n1
chemicalCompound:molecularF...	C14H11ClN6OS
chemicalCompound:moleculeId	798634
chemicalCompound:mwFreebase	346.795
chemicalCompound:alogp	3.442
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	116.82
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.889
chemicalCompound:acdLogP	2.913
chemicalCompound:acdLogD	2.215
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	346.795
chemicalCompound:acdMostBpk...	1.382
chemicalCompound:chemblId	CHEMBL1374750
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:898634
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:4085421, activity:4218860, activity:4707774, activity:4806776, activity:5540312, activity:5603106, activity:5714423, activity:6683096, activity:6835957, activity:6932797, activity:7029073, activity:7078648, activity:10620860