109175

Source:http://linkedlifedata.com/resource/chembl/compound/109175

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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/C13H11N3O2/c17-16(18)13-8-6-11(7-9-13)10-14-15-12-4-2-1-3-5-12/h1-10,15H/b14-10+
chemicalCompound:standardIn...	IXMQSJMHAYPXSV-GXDHUFHOSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1ccc(\C=N\Nc2ccccc2)cc1
chemicalCompound:molecularF...	C13 H11 N3 O2
chemicalCompound:moleculeId	109175
chemicalCompound:mwFreebase	241.245
chemicalCompound:alogp	3.343
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	70.2
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.536
chemicalCompound:acdLogP	4.614
chemicalCompound:acdLogD	4.614
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	241.245
chemicalCompound:chemblId	CHEMBL69572
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:209175
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:799588