1292654

Source:http://linkedlifedata.com/resource/chembl/compound/1292654

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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/C7H7N4O2/c8-7-9-11(13)6-4-2-1-3-5(6)10(7)12/h1-4,13H,(H2,8,9)/q+1
chemicalCompound:standardIn...	IXYJYQXOGZZTAV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1=NN(O)c2ccccc2[N+]1=O
chemicalCompound:molecularF...	C7H7N4O2
chemicalCompound:moleculeId	1292654
chemicalCompound:mwFreebase	179.156
chemicalCompound:alogp	0.859
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	81.93
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	179.156
chemicalCompound:acdMostBpk...	5.089
chemicalCompound:chemblId	CHEMBL1971363
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1392654
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:8259227, activity:8308799, activity:8413929, activity:8486816, activity:8506857, activity:8520342, activity:8597067, activity:8652750, activity:8666639, activity:8777403, activity:8784495, activity:8809708, activity:8870684, activity:8908499, activity:8976276, activity:9020421, activity:9081278, activity:9106504, activity:9154987, activity:9193373, activity:9228598, activity:9230916, activity:9294952, activity:9310230, activity:9368857, activity:9371472, activity:9448413, activity:9451012, activity:9692076, activity:9725722, activity:9796536, activity:9872436, activity:9939486, activity:9972796, activity:10084013, activity:10089885, activity:10091677, activity:10177241, activity:10193198, activity:10291849, activity:10340072, activity:10382153, activity:10431190, activity:10451638, activity:10488708, activity:10507575, activity:10600217, activity:10616007, activity:10622104, activity:10709633, activity:10791111, activity:10806632