354859

Source:http://linkedlifedata.com/resource/chembl/compound/354859

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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/C13H11N3O4/c17-10-7-3-9-12(16-2-1-6(16)5-20-9)15-11(7)14-4-8(10)13(18)19/h3-4,6H,1-2,5H2,(H,18,19)(H,14,15,17)/t6-/m0/s1
chemicalCompound:standardIn...	UIKNYHFGGWGPNP-LURJTMIESA-N
chemicalCompound:canonicalS...	OC(=O)c1cnc2nc3N4CC[C@H]4COc3cc2c1O
chemicalCompound:molecularF...	C13 H11 N3 O4
chemicalCompound:moleculeId	354859
chemicalCompound:mwFreebase	273.244
chemicalCompound:alogp	0.242
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	95.78
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	1.217
chemicalCompound:acdLogP	1.337
chemicalCompound:acdLogD	-2.142
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	273.244
chemicalCompound:acdMostBpk...	10.025
chemicalCompound:chemblId	CHEMBL211321
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:454859
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:1754843, activity:1754868, activity:1754914, activity:1754941, activity:1754968