547226

Source:http://linkedlifedata.com/resource/chembl/compound/547226

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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:666578
chemicalCompound:standardIn...	InChI=1S/C26H38N4O2.ClH/c1-21(2)32-25-9-5-4-8-24(25)29-18-16-28(17-19-29)20-23-12-11-22(27(23)3)13-15-30-14-7-6-10-26(30)31;/h4-5,8-9,11-12,21H,6-7,10,13-20H2,1-3H3;1H
chemicalCompound:standardIn...	GBDIAOVMQVSMRO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC(C)Oc1ccccc1N2CCN(Cc3ccc(CCN4CCCCC4=O)n3C)CC2
chemicalCompound:molecularF...	C26H39ClN4O2
chemicalCompound:moleculeId	547226
chemicalCompound:mwFreebase	438.605
chemicalCompound:alogp	3.991
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	40.95
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.075
chemicalCompound:acdLogD	2.685
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	475.066
chemicalCompound:acdMostBpk...	7.296
chemicalCompound:chemblId	CHEMBL543900
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:647226
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:323123, activity:323124, activity:323125, activity:323126