369686

Source:http://linkedlifedata.com/resource/chembl/compound/369686

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/C12H10N4O3/c13-11-7(5-15-12(14)16-11)2-1-6-3-8(17)10(19)9(18)4-6/h3-5,17-19H,(H4,13,14,15,16)
chemicalCompound:standardIn...	SSONRERJGNZJDC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ncc(C#Cc2cc(O)c(O)c(O)c2)c(N)n1
chemicalCompound:molecularF...	C12 H10 N4 O3
chemicalCompound:moleculeId	369686
chemicalCompound:mwFreebase	258.233
chemicalCompound:alogp	1
chemicalCompound:hba	7
chemicalCompound:hbd	5
chemicalCompound:psa	138.51
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.559
chemicalCompound:acdLogP	0.121
chemicalCompound:acdLogD	0.041
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	258.233
chemicalCompound:acdMostBpk...	5.509
chemicalCompound:chemblId	CHEMBL373426
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:469686
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:1819413, activity:1819414