526094

Source:http://linkedlifedata.com/resource/chembl/compound/526094

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:526094_GNF-PF-2115_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C25H30N4O3/c1-5-28-8-10-29(11-9-28)24-12-17(2)22-15-19(6-7-23(22)27-24)26-25(30)18-13-20(31-3)16-21(14-18)32-4/h6-7,12-16H,5,8-11H2,1-4H3,(H,26,30)
chemicalCompound:standardIn...	CJDFEASPARUQMH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN1CCN(CC1)c2cc(C)c3cc(NC(=O)c4cc(OC)cc(OC)c4)ccc3n2
chemicalCompound:molecularF...	C25H30N4O3
chemicalCompound:moleculeId	526094
chemicalCompound:mwFreebase	434.531
chemicalCompound:alogp	4.261
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	66.93
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.488
chemicalCompound:acdLogP	4.193
chemicalCompound:acdLogD	3.974
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	434.531
chemicalCompound:acdMostBpk...	7.644
chemicalCompound:chemblId	CHEMBL587620
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:626094
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:2813587, activity:2823284, activity:2855836, activity:2864623, activity:2870493, activity:2878603, activity:3023853, activity:3030750, activity:3032768, activity:3034505, activity:3612828, activity:3803169, activity:3803736, activity:3942978, activity:3955095, activity:4010176, activity:4197386, activity:4643587, activity:4846698, activity:4861807, activity:4982506, activity:5002901, activity:5334943, activity:5352207, activity:5370307, activity:5535642, activity:5589078, activity:5672778, activity:5694932, activity:5705516, activity:5803684, activity:5891365, activity:5984543, activity:6234034, activity:6234204, activity:6234837, activity:6593467, activity:6853427, activity:6897981, activity:6988820, activity:7048948, activity:7188524, activity:7268634, activity:7287252, activity:7323116, activity:7373339, activity:7384883, activity:7530347, activity:7533561, activity:10598573