134721

Source:http://linkedlifedata.com/resource/chembl/compound/134721

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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/C20H24N4O2/c1-13-7-5-8-15-18(13)22-19-14(2)9-10-16(24(25)26)17(19)20(15)21-11-6-12-23(3)4/h5,7-10H,6,11-12H2,1-4H3,(H,21,22)
chemicalCompound:standardIn...	QBJNJPAZWDZISN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)CCCNc1c2cccc(C)c2nc3c(C)ccc(c13)[N+](=O)[O-]
chemicalCompound:molecularF...	C20H24N4O2
chemicalCompound:moleculeId	134721
chemicalCompound:mwFreebase	352.43
chemicalCompound:alogp	4.229
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	73.98
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.798
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	352.43
chemicalCompound:acdMostBpk...	9.445
chemicalCompound:chemblId	CHEMBL82457
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:234721
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:816172, activity:816173, activity:816174, activity:816175, activity:816176