745466

Source:http://linkedlifedata.com/resource/chembl/compound/745466

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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/C20H21ClN4O2/c21-16-8-6-15(7-9-16)20-23-19(27-24-20)14-25(13-18-5-3-11-26-18)12-17-4-1-2-10-22-17/h1-2,4,6-10,18H,3,5,11-14H2
chemicalCompound:standardIn...	QWYYCQRNCDZZPS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc(cc1)c2noc(CN(CC3CCCO3)Cc4ccccn4)n2
chemicalCompound:molecularF...	C20H21ClN4O2
chemicalCompound:moleculeId	745466
chemicalCompound:mwFreebase	384.859
chemicalCompound:alogp	3.158
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	64.28
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.187
chemicalCompound:acdLogD	2.186
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	384.859
chemicalCompound:acdMostBpk...	4.532
chemicalCompound:chemblId	CHEMBL1321582
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:845466
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:4386920, activity:4535498, activity:4564560, activity:4779675, activity:4802481, activity:6505412, activity:6599149, activity:7476237