224448

Source:http://linkedlifedata.com/resource/chembl/compound/224448

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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/C18H19N5O4/c1-11-14(12-5-3-2-4-6-12)20-18-21-16-15(17(26)23(11)18)19-9-22(16)10-27-13(7-24)8-25/h2-6,9,13,24-26H,7-8,10H2,1H3
chemicalCompound:standardIn...	OGOMHUJMFGNKFS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1c(nc2nc3c(ncn3COC(CO)CO)c(O)n12)c4ccccc4
chemicalCompound:molecularF...	C18 H19 N5 O4
chemicalCompound:moleculeId	224448
chemicalCompound:mwFreebase	369.375
chemicalCompound:alogp	1.434
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	117.93
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	-4.7
chemicalCompound:acdLogP	0.83
chemicalCompound:acdLogD	-1.915
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	369.375
chemicalCompound:acdMostBpk...	8.077
chemicalCompound:chemblId	CHEMBL137067
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:324448
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:1081191, activity:1081192, activity:1081193, activity:1081194, activity:1081195, activity:1081196, activity:1081197, activity:1081198, activity:1081199, activity:1081200, activity:1081201