841725

Source:http://linkedlifedata.com/resource/chembl/compound/841725

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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/C21H23N3O2/c1-3-4-11-24(21(26)19-7-5-6-10-22-19)14-17-13-16-12-15(2)8-9-18(16)23-20(17)25/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,23,25)
chemicalCompound:standardIn...	LYKJFXYAMIGMRT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCN(Cc1cc2cc(C)ccc2nc1O)C(=O)c3ccccn3
chemicalCompound:molecularF...	C21H23N3O2
chemicalCompound:moleculeId	841725
chemicalCompound:mwFreebase	349.426
chemicalCompound:alogp	4.403
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	66.31
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.141
chemicalCompound:acdLogD	3.133
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	349.426
chemicalCompound:acdMostBpk...	9.328
chemicalCompound:chemblId	CHEMBL1417841
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:941725
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:3745033, activity:5342354, activity:5409667, activity:5493516, activity:5499062, activity:5536833, activity:5537573, activity:5563104, activity:5855485, activity:5860111, activity:5864018, activity:5881608, activity:5970299, activity:5976934, activity:5977655