765242

Source:http://linkedlifedata.com/resource/chembl/compound/765242

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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/C16H16N6O3S/c1-10-2-4-12(5-3-10)25-8-13(23)21-22-14(24)9-26-16-19-7-11(6-17)15(18)20-16/h2-5,7H,8-9H2,1H3,(H,21,23)(H,22,24)(H2,18,19,20)
chemicalCompound:standardIn...	FEPWHJZCQSXKQD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(OCC(=O)NNC(=O)CSc2ncc(C#N)c(N)n2)cc1
chemicalCompound:molecularF...	C16H16N6O3S
chemicalCompound:moleculeId	765242
chemicalCompound:mwFreebase	372.402
chemicalCompound:alogp	1
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	168.32
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.701
chemicalCompound:acdLogP	1.776
chemicalCompound:acdLogD	1.771
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	372.402
chemicalCompound:acdMostBpk...	0.409
chemicalCompound:chemblId	CHEMBL1341358
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:865242
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:3792833, activity:4076481, activity:4757827, activity:6463481, activity:6958911, activity:7072445