568918

Source:http://linkedlifedata.com/resource/chembl/compound/568918

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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/C17H21N5O2/c1-21(2)13-3-12-18-14-4-6-15(7-5-14)19-20-16-8-10-17(11-9-16)22(23)24/h4-11,18H,3,12-13H2,1-2H3/b20-19+
chemicalCompound:standardIn...	DSPMVCCCYHRWPL-FMQUCBEESA-N
chemicalCompound:canonicalS...	CN(C)CCCNc1ccc(cc1)N=Nc2ccc(cc2)[N+](=O)[O-]
chemicalCompound:molecularF...	C17H21N5O2
chemicalCompound:moleculeId	568918
chemicalCompound:mwFreebase	327.381
chemicalCompound:alogp	4.103
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	85.81
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.739
chemicalCompound:acdLogD	1.67
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	327.381
chemicalCompound:acdMostBpk...	9.504
chemicalCompound:chemblId	CHEMBL575433
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668918
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:2913546, activity:2913604, activity:2913662, activity:2913720, activity:2913778, activity:2914208, activity:2914266, activity:2914299, activity:2914357, activity:2914415, activity:2914429, activity:2914441, activity:2914453, activity:2914456