568907

Source:http://linkedlifedata.com/resource/chembl/compound/568907

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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/c1-20(2)12-7-13-21(16-9-4-3-5-10-16)19-18-15-8-6-11-17(14-15)22(23)24/h3-6,8-11,14H,7,12-13H2,1-2H3/b19-18+
chemicalCompound:standardIn...	TVRPSUDZLNVBGB-VHEBQXMUSA-N
chemicalCompound:canonicalS...	CN(C)CCCN(N=Nc1cccc(c1)[N+](=O)[O-])c2ccccc2
chemicalCompound:molecularF...	C17H21N5O2
chemicalCompound:moleculeId	568907
chemicalCompound:mwFreebase	327.381
chemicalCompound:alogp	3.885
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	77.02
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.726
chemicalCompound:acdLogD	1.67
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	327.381
chemicalCompound:acdMostBpk...	9.289
chemicalCompound:chemblId	CHEMBL573132
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668907
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:2913476, activity:2913522, activity:2913580, activity:2913638, activity:2913696, activity:2913754, activity:2913812, activity:2914242, activity:2914275, activity:2914333, activity:2914391, activity:2914473, activity:2914493, activity:2914514, activity:2914535