782808

Source:http://linkedlifedata.com/resource/chembl/compound/782808

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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:1038976
chemicalCompound:standardIn...	InChI=1S/C21H26ClNO2.ClH/c1-2-24-20-13-17(14-23-18-10-6-7-11-18)12-19(22)21(20)25-15-16-8-4-3-5-9-16;/h3-5,8-9,12-13,18,23H,2,6-7,10-11,14-15H2,1H3;1H
chemicalCompound:standardIn...	KLSPZLXLGJCLRB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCOc1cc(CNC2CCCC2)cc(Cl)c1OCc3ccccc3
chemicalCompound:molecularF...	C21H27Cl2NO2
chemicalCompound:moleculeId	782808
chemicalCompound:mwFreebase	359.89
chemicalCompound:alogp	5.333
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	30.49
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.57
chemicalCompound:acdLogD	2.918
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	396.351
chemicalCompound:acdMostBpk...	9.057
chemicalCompound:chemblId	CHEMBL1358924
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:882808
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:3710182, activity:3768156, activity:4117960, activity:4540740, activity:5329964, activity:5535974, activity:5564055, activity:5565178, activity:5571293, activity:5590436, activity:5863912, activity:5865318, activity:5976315, activity:6581487, activity:6634113, activity:7056368, activity:7161855, activity:7330361, activity:7544133