532248

Source:http://linkedlifedata.com/resource/chembl/compound/532248

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:535548
chemicalCompound:standardIn...	InChI=1S/C24H35ClN2O2.ClH/c1-28-23-13-10-21(19-24(23)29-2)14-18-27-16-5-3-4-15-26-17-6-7-20-8-11-22(25)12-9-20;/h8-13,19,26-27H,3-7,14-18H2,1-2H3;1H
chemicalCompound:standardIn...	MRJKPEUJIDFFHZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COc1ccc(CCNCCCCCNCCCc2ccc(Cl)cc2)cc1OC
chemicalCompound:molecularF...	C24H36Cl2N2O2
chemicalCompound:moleculeId	532248
chemicalCompound:mwFreebase	419
chemicalCompound:alogp	5.382
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	42.52
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.719
chemicalCompound:acdLogD	0.636
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	455.461
chemicalCompound:acdMostBpk...	10.571
chemicalCompound:chemblId	CHEMBL531035
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:632248
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:2813042, activity:2819525, activity:2820815, activity:2822401, activity:2847181, activity:2847457