844079

Source:http://linkedlifedata.com/resource/chembl/compound/844079

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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/C23H26N6O4/c1-16(30)17-2-4-18(5-3-17)24-22(31)9-8-20-26-25-19-6-7-21(27-29(19)20)28-12-10-23(11-13-28)32-14-15-33-23/h2-7H,8-15H2,1H3,(H,24,31)
chemicalCompound:standardIn...	IUYVRHVEZDNURM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)c1ccc(NC(=O)CCc2nnc3ccc(nn23)N4CCC5(CC4)OCCO5)cc1
chemicalCompound:molecularF...	C23H26N6O4
chemicalCompound:moleculeId	844079
chemicalCompound:mwFreebase	450.49
chemicalCompound:alogp	1
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	110.95
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.808
chemicalCompound:acdLogP	1.798
chemicalCompound:acdLogD	1.798
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	450.49
chemicalCompound:acdMostBpk...	3.584
chemicalCompound:chemblId	CHEMBL1420195
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:944079
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:3825811, activity:4072321, activity:4198509, activity:4970722, activity:5466539, activity:5551440, activity:5665628, activity:5807647, activity:5898246, activity:6601038, activity:6764975, activity:7377937, activity:7520504, activity:8299023, activity:10079297