991493

Source:http://linkedlifedata.com/resource/chembl/compound/991493

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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/C12H11N3O3/c1-18-11-7-3-2-5-9(11)14-12-10(15(16)17)6-4-8-13-12/h2-8H,1H3,(H,13,14)
chemicalCompound:standardIn...	RZVCNRNXBBARDJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1Nc2ncccc2[N+](=O)[O-]
chemicalCompound:molecularF...	C12H11N3O3
chemicalCompound:moleculeId	991493
chemicalCompound:mwFreebase	245.234
chemicalCompound:alogp	2.009
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	79.97
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.625
chemicalCompound:acdLogD	2.625
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	245.234
chemicalCompound:acdMostBpk...	1.798
chemicalCompound:chemblId	CHEMBL1567609
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1091493
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:4232678, activity:4340539, activity:4578348, activity:4624082, activity:5336480, activity:5575263, activity:5686734, activity:5776580, activity:5789473, activity:6716326, activity:7165473