404861

Source:http://linkedlifedata.com/resource/chembl/compound/404861

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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/C17H25N5O3/c1-17(2,3)13-4-5-14-15(12-13)21(23)16(19-22(14)24)18-6-7-20-8-10-25-11-9-20/h4-5,12H,6-11H2,1-3H3,(H,18,19)
chemicalCompound:standardIn...	JDGDFQPDSVVDPA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)c1ccc2c(c1)[n+]([O-])c(NCCN3CCOCC3)n[n+]2[O-]
chemicalCompound:molecularF...	C17 H25 N5 O3
chemicalCompound:moleculeId	404861
chemicalCompound:mwFreebase	347.412
chemicalCompound:alogp	0.745
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	88.31
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	0.968
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	347.412
chemicalCompound:acdMostBpk...	6.252
chemicalCompound:chemblId	CHEMBL240783
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:504861
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:2007086, activity:2007130, activity:2007174, activity:2007217, activity:2007344