706073

Source:http://linkedlifedata.com/resource/chembl/compound/706073

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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:112651
chemicalCompound:standardIn...	InChI=1S/C24H34N2O.ClH/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22;/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3;1H
chemicalCompound:standardIn...	JXBBWYGMTNAYNM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3
chemicalCompound:molecularF...	C24H35ClN2O
chemicalCompound:moleculeId	706073
chemicalCompound:mwFreebase	366.54
chemicalCompound:alogp	5.265
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	15.71
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.442
chemicalCompound:acdLogD	3.702
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	403
chemicalCompound:acdMostBpk...	9.213
chemicalCompound:chemblId	CHEMBL1257078
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:806073
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:52712
chemicalCompound:activity	activity:3624710, activity:3664623, activity:3743220, activity:3974124, activity:4034979, activity:4067147, activity:4069625, activity:4073584, activity:4200963, activity:4358686, activity:4414514, activity:4565021, activity:4722702, activity:4769950, activity:4940598, activity:4985499, activity:5050733, activity:5500474, activity:5621921, activity:5683256, activity:5754229, activity:5826728, activity:6946535, activity:7068018, activity:7431691, activity:7440755, activity:7495781, activity:7503401, activity:7516641, activity:7542459