419994

Source:http://linkedlifedata.com/resource/chembl/compound/419994

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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/C17H17N3O5/c18-16(24)13-11(7-6-10-4-2-1-3-5-10)8-20(19-13)17-15(23)14(22)12(9-21)25-17/h1-5,8,12,14-15,17,21-23H,9H2,(H2,18,24)/t12-,14-,15-,17-/m1/s1
chemicalCompound:standardIn...	IXSVQAIOCGFUJM-DNNBLBMLSA-N
chemicalCompound:canonicalS...	NC(=O)c1nn(cc1C#Cc2ccccc2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
chemicalCompound:molecularF...	C17 H17 N3 O5
chemicalCompound:moleculeId	419994
chemicalCompound:mwFreebase	343.334
chemicalCompound:alogp	0.374
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	130.83
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.092
chemicalCompound:acdLogP	0.5
chemicalCompound:acdLogD	0.5
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	343.334
chemicalCompound:chemblId	CHEMBL428058
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:519994
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:2063881, activity:2063884