34592

Source:http://linkedlifedata.com/resource/chembl/compound/34592

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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/C22H28N4O4/c1-30-21-7-3-2-6-20(21)25-16-14-24(15-17-25)13-5-4-12-23-22(27)18-8-10-19(11-9-18)26(28)29/h2-3,6-11H,4-5,12-17H2,1H3,(H,23,27)
chemicalCompound:standardIn...	NAUDPBJHJUYRNH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1N2CCN(CCCCNC(=O)c3ccc(cc3)[N+](=O)[O-])CC2
chemicalCompound:molecularF...	C22 H28 N4 O4
chemicalCompound:moleculeId	34592
chemicalCompound:mwFreebase	412.482
chemicalCompound:alogp	3.326
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	90.63
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.512
chemicalCompound:acdLogP	3.341
chemicalCompound:acdLogD	2.903
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	412.482
chemicalCompound:acdMostBpk...	7.847
chemicalCompound:chemblId	CHEMBL282902
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134592
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:593537, activity:593538, activity:593539, activity:831789