34591

Source:http://linkedlifedata.com/resource/chembl/compound/34591

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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/C22H28ClN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)
chemicalCompound:standardIn...	PZWHEQIOEMDZEH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1N2CCN(CCCCNC(=O)c3ccc(Cl)cc3)CC2
chemicalCompound:molecularF...	C22 H28 Cl N3 O2
chemicalCompound:moleculeId	34591
chemicalCompound:mwFreebase	401.93
chemicalCompound:alogp	4.096
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	44.81
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.571
chemicalCompound:acdLogD	3.126
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	401.93
chemicalCompound:acdMostBpk...	7.869
chemicalCompound:chemblId	CHEMBL24515
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134591
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:627303, activity:627304, activity:627305, activity:849709