72149

Source:http://linkedlifedata.com/resource/chembl/compound/72149

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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/C10H12N4O4/c11-3-5-6(4-15)18-9(8(5)16)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,4H2,(H2,12,13,17)
chemicalCompound:standardIn...	VOLULCZCNIOZLQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1=NC(=O)N(C=C1)C2OC(CO)C(C#N)C2O
chemicalCompound:molecularF...	C10 H12 N4 O4
chemicalCompound:moleculeId	72149
chemicalCompound:mwFreebase	252.227
chemicalCompound:alogp	-1.996
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	132.16
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.747
chemicalCompound:acdLogP	-3.283
chemicalCompound:acdLogD	-3.283
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	252.227
chemicalCompound:acdMostBpk...	4.263
chemicalCompound:chemblId	CHEMBL296546
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:172149
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:821193, activity:821194, activity:821195, activity:821196, activity:821197, activity:821198, activity:821199, activity:821200, activity:821201, activity:821202, activity:821203, activity:821204, activity:821205, activity:821206, activity:821207, activity:821208, activity:821209, activity:821210, activity:821211