229650

Source:http://linkedlifedata.com/resource/chembl/compound/229650

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/C11H14N4O3/c1-6-11(18-8(4-16)17-6)15-3-2-7-9(12)13-5-14-10(7)15/h2-3,5-6,8,11,16H,4H2,1H3,(H2,12,13,14)/t6-,8-,11-/m1/s1
chemicalCompound:standardIn...	LEEQGAKZDJMHNM-AZTOOPQRSA-N
chemicalCompound:canonicalS...	C[C@H]1O[C@@H](CO)O[C@H]1n2ccc3c(N)ncnc23
chemicalCompound:molecularF...	C11 H14 N4 O3
chemicalCompound:moleculeId	229650
chemicalCompound:mwFreebase	250.254
chemicalCompound:alogp	0.336
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	95.42
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.318
chemicalCompound:acdLogD	1.312
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	250.254
chemicalCompound:acdMostBpk...	5.4
chemicalCompound:chemblId	CHEMBL138734
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:329650
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:385388