569499

Source:http://linkedlifedata.com/resource/chembl/compound/569499

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/C18H17N5O5/c1-26-11-4-2-10(3-5-11)12-6-22-17(25)15-16(21-18(22)20-12)23(9-19-15)13-8-27-14(7-24)28-13/h2-6,9,13-14,24H,7-8H2,1H3,(H,20,21)/t13-,14-/m1/s1
chemicalCompound:standardIn...	NHHQBXQGWQEFMX-ZIAGYGMSSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)C2=CN3C(=Nc4c(ncn4[C@H]5CO[C@@H](CO)O5)C3=O)N2
chemicalCompound:molecularF...	C18H17N5O5
chemicalCompound:moleculeId	569499
chemicalCompound:mwFreebase	383.358
chemicalCompound:alogp	0.047
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	110.44
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.038
chemicalCompound:acdLogD	1.038
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	383.358
chemicalCompound:acdMostBpk...	2.246
chemicalCompound:chemblId	CHEMBL578656
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:669499
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:2909828, activity:2909852, activity:2909884, activity:2909914, activity:2917794, activity:2917828, activity:2917859