534611

Source:http://linkedlifedata.com/resource/chembl/compound/534611

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:534611_BRL-15572_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C25H27ClN2O/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,24-25,29H,14-17,19H2
chemicalCompound:standardIn...	QJHCTHPYUOXOGM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(CN1CCN(CC1)c2cccc(Cl)c2)C(c3ccccc3)c4ccccc4
chemicalCompound:molecularF...	C25H27ClN2O
chemicalCompound:moleculeId	534611
chemicalCompound:mwFreebase	406.948
chemicalCompound:alogp	5.359
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	26.71
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.318
chemicalCompound:acdLogD	4.241
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	406.948
chemicalCompound:acdMostBpk...	7.14
chemicalCompound:chemblId	CHEMBL534232
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:634611
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	BRL-15,572
chemicalCompound:activity	activity:3490329, activity:5084529, activity:5570151, activity:5778092, activity:5802467, activity:7337583, activity:7472547