265082

Source:http://linkedlifedata.com/resource/chembl/compound/265082

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C22H26BrN3O3/c1-3-29-22-15(11-16(28-2)12-18(22)23)14-24-9-6-10-25-21-13-20(27)17-7-4-5-8-19(17)26-21/h4-5,7-8,11-13,24H,3,6,9-10,14H2,1-2H3,(H2,25,26,27)
chemicalCompound:standardIn...	CPZVHZXSRMWVPC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1c(Br)cc(OC)cc1CNCCCNc2cc(O)c3ccccc3n2
chemicalCompound:molecularF...	C22 H26 Br N3 O3
chemicalCompound:moleculeId	265082
chemicalCompound:mwFreebase	460.364
chemicalCompound:alogp	3.962
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	75.64
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.55
chemicalCompound:acdLogP	4.497
chemicalCompound:acdLogD	1.513
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	460.364
chemicalCompound:acdMostBpk...	11.159
chemicalCompound:chemblId	CHEMBL160161
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:365082
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:550004, activity:550005, activity:550006, activity:550007, activity:550008, activity:550009, activity:550010