544857

Source:http://linkedlifedata.com/resource/chembl/compound/544857

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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:5514
chemicalCompound:standardIn...	InChI=1S/C23H26N2O4.ClH/c1-3-11-24(16-14-19-20(28-2)9-6-10-21(19)29-15-16)12-13-25-22(26)17-7-4-5-8-18(17)23(25)27;/h4-10,16H,3,11-15H2,1-2H3;1H
chemicalCompound:standardIn...	JKLZWXDQKZMGDM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCCN(CCN1C(=O)c2ccccc2C1=O)C3COc4cccc(OC)c4C3
chemicalCompound:molecularF...	C23H27ClN2O4
chemicalCompound:moleculeId	544857
chemicalCompound:mwFreebase	394.464
chemicalCompound:alogp	3.592
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	59.08
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.746
chemicalCompound:acdLogD	2.751
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	430.924
chemicalCompound:acdMostBpk...	8.353
chemicalCompound:chemblId	CHEMBL545198
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:644857
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:714721, activity:714722, activity:714723, activity:714724, activity:714725, activity:714726, activity:714727