1091052

Source:http://linkedlifedata.com/resource/chembl/compound/1091052

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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:114108
chemicalCompound:standardIn...	InChI=1S/C21H38N.BrH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;1H2/q+1;;/p-1
chemicalCompound:standardIn...	HVWZDJSNXREVCK-UHFFFAOYSA-M
chemicalCompound:canonicalS...	O.[Br-].CCCCCCCCCCCCCCCC[n+]1ccccc1
chemicalCompound:molecularF...	C21H40BrNO
chemicalCompound:moleculeId	1091052
chemicalCompound:mwFreebase	304.533
chemicalCompound:alogp	8.237
chemicalCompound:hba	0
chemicalCompound:hbd	0
chemicalCompound:psa	3.88
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.763
chemicalCompound:acdLogD	2.763
chemicalCompound:fullMwt	402.452
chemicalCompound:chemblId	CHEMBL1710321
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1191052
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:5448327, activity:6426678, activity:6477508, activity:6637734, activity:6770289, activity:6838812, activity:6869542, activity:6972281, activity:7066259, activity:7072900, activity:7278497, activity:7457464, activity:7548779