117620

Source:http://linkedlifedata.com/resource/chembl/compound/117620

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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/C15H14N4S/c1-19(16)15-18-17-14(20-15)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,16H2,1H3
chemicalCompound:standardIn...	UXEQYMLKFZDUCJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(N)c1nnc(s1)c2ccc(cc2)c3ccccc3
chemicalCompound:molecularF...	C15 H14 N4 S
chemicalCompound:moleculeId	117620
chemicalCompound:mwFreebase	282.363
chemicalCompound:alogp	2.591
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	83.28
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.061
chemicalCompound:acdLogD	4.061
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	282.363
chemicalCompound:acdMostBpk...	2.93
chemicalCompound:chemblId	CHEMBL73325
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:217620
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:137904, activity:137905, activity:137906, activity:323818, activity:323819, activity:323820, activity:323821