73299

Source:http://linkedlifedata.com/resource/chembl/compound/73299

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C11H13N3O5/c1-5-3-14(11(18)13-9(5)17)10-8(16)6(2-12)7(4-15)19-10/h3,6-8,10,15-16H,4H2,1H3,(H,13,17,18)
chemicalCompound:standardIn...	DWXOIPDJUIXUPY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=CN(C2OC(CO)C(C#N)C2O)C(=O)NC1=O
chemicalCompound:molecularF...	C11 H13 N3 O5
chemicalCompound:moleculeId	73299
chemicalCompound:mwFreebase	267.238
chemicalCompound:alogp	-1.604
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	122.89
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.551
chemicalCompound:acdLogP	-1.321
chemicalCompound:acdLogD	-1.324
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	267.238
chemicalCompound:chemblId	CHEMBL49727
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:173299
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:819048, activity:819049, activity:819050, activity:819051, activity:819052, activity:819053, activity:819054, activity:819055, activity:819056, activity:819057, activity:819058, activity:819059, activity:819060, activity:819061, activity:819062, activity:819063, activity:819064, activity:819065, activity:819066, activity:1229530, activity:1229531