58968

Source:http://linkedlifedata.com/resource/chembl/compound/58968

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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/C19H19N3O3/c1-15-20-14-18(22(23)24)21(15)12-13-25-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,19H,12-13H2,1H3
chemicalCompound:standardIn...	SBNQDANULLAFPB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ncc([N+](=O)[O-])n1CCOC(c2ccccc2)c3ccccc3
chemicalCompound:molecularF...	C19 H19 N3 O3
chemicalCompound:moleculeId	58968
chemicalCompound:mwFreebase	337.372
chemicalCompound:alogp	3.267
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	72.87
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.463
chemicalCompound:acdLogD	3.463
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	337.372
chemicalCompound:acdMostBpk...	2.542
chemicalCompound:chemblId	CHEMBL38679
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:158968
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:336419, activity:1005956, activity:1005957, activity:1005958, activity:1005959, activity:1241760, activity:1241761, activity:1241762, activity:1241763, activity:1491100, activity:1491101, activity:1491102