548373

Source:http://linkedlifedata.com/resource/chembl/compound/548373

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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:32858
chemicalCompound:standardIn...	InChI=1S/C24H28N4.ClH/c1-3-7-21(8-4-1)19-28-17-14-20(15-18-28)13-16-25-24-12-11-23(26-27-24)22-9-5-2-6-10-22;/h1-12,20H,13-19H2,(H,25,27);1H
chemicalCompound:standardIn...	JKFKTWGAXYDFOH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.C(CC1CCN(Cc2ccccc2)CC1)Nc3ccc(nn3)c4ccccc4
chemicalCompound:molecularF...	C24H29ClN4
chemicalCompound:moleculeId	548373
chemicalCompound:mwFreebase	372.506
chemicalCompound:alogp	5.167
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	41.05
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.082
chemicalCompound:acdLogD	3.629
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	408.967
chemicalCompound:acdMostBpk...	8.891
chemicalCompound:chemblId	CHEMBL545587
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:648373
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:277085, activity:277086, activity:277087, activity:277088, activity:473116, activity:473117, activity:473118, activity:473119