224117

Source:http://linkedlifedata.com/resource/chembl/compound/224117

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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/C18H19N5O5/c1-26-11-3-4-12(14(7-11)27-2)13-8-23-17(25)15-16(21-18(23)20-13)22(9-19-15)10-28-6-5-24/h3-4,7-9,24-25H,5-6,10H2,1-2H3
chemicalCompound:standardIn...	LPSDBBIFHKVBLU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(c(OC)c1)c2cn3c(O)c4ncn(COCCO)c4nc3n2
chemicalCompound:molecularF...	C18 H19 N5 O5
chemicalCompound:moleculeId	224117
chemicalCompound:mwFreebase	385.374
chemicalCompound:alogp	1.629
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	116.16
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	-4.863
chemicalCompound:acdLogP	0.278
chemicalCompound:acdLogD	-2.553
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	385.374
chemicalCompound:acdMostBpk...	7.835
chemicalCompound:chemblId	CHEMBL135407
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:324117
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:1089000, activity:1089001, activity:1089002, activity:1089003, activity:1089004, activity:1089005, activity:1089006, activity:1089007, activity:1089008, activity:1089009, activity:1089010