1034064

Source:http://linkedlifedata.com/resource/chembl/compound/1034064

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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/C25H29N3O5/c1-3-31-22-16-20(28-11-13-30-14-12-28)23(32-4-2)15-19(22)27-24(29)17-33-21-9-5-7-18-8-6-10-26-25(18)21/h5-10,15-16H,3-4,11-14,17H2,1-2H3,(H,27,29)
chemicalCompound:standardIn...	VZELEVCSLRBHEE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc3cccc4cccnc34
chemicalCompound:molecularF...	C25H29N3O5
chemicalCompound:moleculeId	1034064
chemicalCompound:mwFreebase	451.515
chemicalCompound:alogp	3.151
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	82.15
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.756
chemicalCompound:acdLogP	3.292
chemicalCompound:acdLogD	3.259
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	451.515
chemicalCompound:acdMostBpk...	5.939
chemicalCompound:chemblId	CHEMBL1610180
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1134064
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:3648196, activity:3760228, activity:3816247, activity:3891353, activity:4051241, activity:4095914, activity:4239551, activity:4339145, activity:4483838, activity:4740705, activity:4830820, activity:4870116, activity:4899291, activity:5365688, activity:5415092, activity:5477416, activity:5557331, activity:5571668, activity:5653706, activity:5682883, activity:5848775, activity:5928838, activity:6432211, activity:6688624, activity:6851389, activity:6896948, activity:7094996, activity:7217797, activity:7333706, activity:7434843, activity:7543658, activity:8287526, activity:10306675, activity:10608147