432194

Source:http://linkedlifedata.com/resource/chembl/compound/432194

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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/C18H22N2O5/c1-3-24-18(23)20-8-6-19(7-9-20)11-14-15(21)5-4-13-12(2)10-16(22)25-17(13)14/h4-5,10,21H,3,6-9,11H2,1-2H3
chemicalCompound:standardIn...	ZOGXKYUEVYRQAQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)N1CCN(Cc2c(O)ccc3C(=CC(=O)Oc23)C)CC1
chemicalCompound:molecularF...	C18 H22 N2 O5
chemicalCompound:moleculeId	432194
chemicalCompound:mwFreebase	346.378
chemicalCompound:alogp	2.386
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	79.31
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.892
chemicalCompound:acdLogP	2.5
chemicalCompound:acdLogD	2.333
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	346.378
chemicalCompound:acdMostBpk...	5.76
chemicalCompound:chemblId	CHEMBL407036
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:532194
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:2135172, activity:2135225, activity:2135291, activity:2135389, activity:2135459, activity:2135523, activity:2135587, activity:2135651, activity:2135715