315382

Source:http://linkedlifedata.com/resource/chembl/compound/315382

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/C13H13N5/c1-2-18-11-5-6-15-8-10(11)17-13(18)9-3-4-12(14)16-7-9/h3-8H,2H2,1H3,(H2,14,16)
chemicalCompound:standardIn...	TUAKXNGZNZAGQZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCn1c(nc2cnccc12)c3ccc(N)nc3
chemicalCompound:molecularF...	C13 H13 N5
chemicalCompound:moleculeId	315382
chemicalCompound:mwFreebase	239.276
chemicalCompound:alogp	1.316
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	69.62
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.156
chemicalCompound:acdLogD	0.151
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	239.276
chemicalCompound:acdMostBpk...	5.487
chemicalCompound:chemblId	CHEMBL188342
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:415382
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:1475798