22143

Source:http://linkedlifedata.com/resource/chembl/compound/22143

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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/C13H14N6O3/c1-7(20)17-10-3-2-8(5-11(10)19(21)22)4-9-6-16-13(15)18-12(9)14/h2-3,5-6H,4H2,1H3,(H,17,20)(H4,14,15,16,18)
chemicalCompound:standardIn...	AKHBBXPUWYDYHT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Nc1ccc(Cc2cnc(N)nc2N)cc1[N+](=O)[O-]
chemicalCompound:molecularF...	C13 H14 N6 O3
chemicalCompound:moleculeId	22143
chemicalCompound:mwFreebase	302.289
chemicalCompound:alogp	0.607
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	152.73
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.621
chemicalCompound:acdLogP	0.162
chemicalCompound:acdLogD	0.068
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	302.289
chemicalCompound:acdMostBpk...	6.785
chemicalCompound:chemblId	CHEMBL18912
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:122143
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:64354, activity:64355, activity:139068, activity:387334, activity:408840, activity:408841, activity:473735, activity:567427, activity:636244, activity:657527, activity:670187, activity:877663, activity:960753, activity:960754, activity:995485, activity:995486, activity:995487, activity:995488, activity:1021882, activity:1021883, activity:1021884, activity:1067645, activity:1067646