224450

Source:http://linkedlifedata.com/resource/chembl/compound/224450

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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/c1-11-2-4-12(5-3-11)14-6-23-17(26)15-16(21-18(23)20-14)22(9-19-15)10-27-13(7-24)8-25/h2-6,9,13,24-26H,7-8,10H2,1H3
chemicalCompound:standardIn...	IKOHTWPVQXDZMH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)c2cn3c(O)c4ncn(COC(CO)CO)c4nc3n2
chemicalCompound:molecularF...	C18 H19 N5 O4
chemicalCompound:moleculeId	224450
chemicalCompound:mwFreebase	369.375
chemicalCompound:alogp	1.637
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	117.93
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	-4.796
chemicalCompound:acdLogP	1.188
chemicalCompound:acdLogD	-1.713
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	369.375
chemicalCompound:acdMostBpk...	7.631
chemicalCompound:chemblId	CHEMBL137268
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:324450
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:1094615, activity:1094616, activity:1094617, activity:1094618, activity:1094619, activity:1094620, activity:1094621, activity:1094622, activity:1094623, activity:1094624, activity:1094625