828393

Source:http://linkedlifedata.com/resource/chembl/compound/828393

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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:1042547
chemicalCompound:standardIn...	InChI=1S/C17H25NO3.ClH/c1-14-7-6-8-16(11-14)20-13-17(19)21-15(2)12-18-9-4-3-5-10-18;/h6-8,11,15H,3-5,9-10,12-13H2,1-2H3;1H
chemicalCompound:standardIn...	JATQHOXLQFJHPS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC(CN1CCCCC1)OC(=O)COc2cccc(C)c2
chemicalCompound:molecularF...	C17H26ClNO3
chemicalCompound:moleculeId	828393
chemicalCompound:mwFreebase	291.385
chemicalCompound:alogp	3.44
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	38.77
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.843
chemicalCompound:acdLogD	3.154
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	327.846
chemicalCompound:acdMostBpk...	7.992
chemicalCompound:chemblId	CHEMBL1404509
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:928393
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:3929771, activity:4256061, activity:4597791, activity:6583232, activity:6616120, activity:6724715