92644

Source:http://linkedlifedata.com/resource/chembl/compound/92644

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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/C9H12N2O3/c1-7(11(13)9(10)12)4-5-8-3-2-6-14-8/h2-7,13H,1H3,(H2,10,12)/b5-4+
chemicalCompound:standardIn...	YQJQAHKVGNEMLM-SNAWJCMRSA-N
chemicalCompound:canonicalS...	CC(\C=C\c1occc1)N(O)C(=O)N
chemicalCompound:molecularF...	C9 H12 N2 O3
chemicalCompound:moleculeId	92644
chemicalCompound:mwFreebase	196.203
chemicalCompound:alogp	1
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	79.7
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.984
chemicalCompound:acdLogP	1.857
chemicalCompound:acdLogD	1.854
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	196.203
chemicalCompound:chemblId	CHEMBL58785
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:192644
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:1236847, activity:1236848, activity:1236849