921270

Source:http://linkedlifedata.com/resource/chembl/compound/921270

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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/C17H15N5S/c1-22-4-2-12-13(6-18)16(21)17(9-19,10-20)15(14(12)7-22)11-3-5-23-8-11/h2-3,5,8,14-15H,4,7,21H2,1H3
chemicalCompound:standardIn...	XSXJDVWVGUKTNT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CC=C2C(C1)C(c3ccsc3)C(C#N)(C#N)C(=C2C#N)N
chemicalCompound:molecularF...	C17H15N5S
chemicalCompound:moleculeId	921270
chemicalCompound:mwFreebase	321.399
chemicalCompound:alogp	0.621
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	128.86
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.61
chemicalCompound:acdLogD	1.604
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	321.399
chemicalCompound:acdMostBpk...	5.555
chemicalCompound:chemblId	CHEMBL1497386
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1021270
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:3634695, activity:3712104, activity:4011844, activity:4128191, activity:4338304, activity:4469067, activity:4514115, activity:4807792, activity:5009057, activity:5057648, activity:5518191, activity:5695346, activity:5963694, activity:6452635, activity:6574364, activity:6735707, activity:6756239, activity:6861607, activity:7200365, activity:7294297, activity:7515873, activity:9351477, activity:10647148