979367

Source:http://linkedlifedata.com/resource/chembl/compound/979367

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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/C24H20N4O5/c29-23(17-7-10-20(21(15-17)28(30)31)27-11-13-32-14-12-27)25-18-8-5-16(6-9-18)24-26-19-3-1-2-4-22(19)33-24/h1-10,15H,11-14H2,(H,25,29)
chemicalCompound:standardIn...	FSHPTHOEKRNLKQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1cc(ccc1N2CCOCC2)C(=O)Nc3ccc(cc3)c4oc5ccccc5n4
chemicalCompound:molecularF...	C24H20N4O5
chemicalCompound:moleculeId	979367
chemicalCompound:mwFreebase	444.439
chemicalCompound:alogp	3.809
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	113.41
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.859
chemicalCompound:acdLogP	3.35
chemicalCompound:acdLogD	3.35
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	444.439
chemicalCompound:acdMostBpk...	1.127
chemicalCompound:chemblId	CHEMBL1555483
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1079367
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:3694150, activity:3736733, activity:3904844, activity:3952175, activity:3954057, activity:3982198, activity:4009304, activity:4080763, activity:4108942, activity:4205757, activity:4388291, activity:4413527, activity:4512208, activity:4539821, activity:4817375, activity:4904508, activity:5406128, activity:5411247, activity:5528693, activity:5801136, activity:5875126, activity:6016684, activity:6033226, activity:6061586, activity:6064689, activity:6071419, activity:6581260, activity:6744556, activity:6793302, activity:6884548, activity:7037402, activity:7308784, activity:7512259, activity:8296268, activity:10302332, activity:10672817