538288

Source:http://linkedlifedata.com/resource/chembl/compound/538288

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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:528702
chemicalCompound:standardIn...	InChI=1S/C24H35ClN2O2.BrH/c1-24(2,18-20-7-10-21(25)11-8-20)27-15-6-4-3-5-14-26-16-13-19-9-12-22(28)23(29)17-19;/h7-12,17,26-29H,3-6,13-16,18H2,1-2H3;1H
chemicalCompound:standardIn...	XEGFYKCNXQJEQV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Br.CC(C)(Cc1ccc(Cl)cc1)NCCCCCCNCCc2ccc(O)c(O)c2
chemicalCompound:molecularF...	C24H36BrClN2O2
chemicalCompound:moleculeId	538288
chemicalCompound:mwFreebase	419
chemicalCompound:alogp	5.514
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	64.52
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.652
chemicalCompound:acdLogP	4.986
chemicalCompound:acdLogD	0.922
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	499.912
chemicalCompound:acdMostBpk...	10.443
chemicalCompound:chemblId	CHEMBL548086
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:638288
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:2819641, activity:2823429, activity:2843446, activity:2845004, activity:2868475, activity:2874155