705163

Source:http://linkedlifedata.com/resource/chembl/compound/705163

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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:822
chemicalCompound:standardIn...	InChI=1S/C15H23NO2.ClH/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3;/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3;1H
chemicalCompound:standardIn...	RRCPAXJDDNWJBI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC(C)NCC(O)COc1ccccc1CC=C
chemicalCompound:molecularF...	C15H24ClNO2
chemicalCompound:moleculeId	705163
chemicalCompound:mwFreebase	249.349
chemicalCompound:alogp	2.639
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	41.48
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.88
chemicalCompound:acdLogP	2.905
chemicalCompound:acdLogD	0.807
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	285.81
chemicalCompound:acdMostBpk...	9.431
chemicalCompound:chemblId	CHEMBL1256179
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:805163
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:31191
chemicalCompound:activity	activity:3484625, activity:3484711, activity:3484797, activity:3484859, activity:3484944, activity:3485730, activity:3485815, activity:3491091, activity:3625924, activity:3634907, activity:3695091, activity:3732781, activity:3939756, activity:3987952, activity:4018693, activity:4278424, activity:4312167, activity:4358249, activity:4535741, activity:4537593, activity:4966292, activity:5719820, activity:5739150, activity:5856579, activity:6701716, activity:6801426, activity:6929842, activity:7005173, activity:7108138, activity:7444488, activity:7459700, activity:7461931, activity:7517225, activity:7541921