535568

Source:http://linkedlifedata.com/resource/chembl/compound/535568

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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/C25H36N2O/c1-20-16-24(13-14-25(20)28)19-27-18-23-11-9-22(10-12-23)17-26-15-5-8-21-6-3-2-4-7-21/h2-4,6-7,13-14,16,22-23,26-28H,5,8-12,15,17-19H2,1H3
chemicalCompound:standardIn...	QTUYVNZOQILBCY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(CNCC2CCC(CNCCCc3ccccc3)CC2)ccc1O
chemicalCompound:molecularF...	C25H36N2O
chemicalCompound:moleculeId	535568
chemicalCompound:mwFreebase	380.566
chemicalCompound:alogp	5.397
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	44.29
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.452
chemicalCompound:acdLogP	5.02
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	380.566
chemicalCompound:acdMostBpk...	10.459
chemicalCompound:chemblId	CHEMBL548191
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:635568
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:2813249, activity:2830875, activity:2834655, activity:2863546, activity:2867986, activity:2888696