569485

Source:http://linkedlifedata.com/resource/chembl/compound/569485

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/C15H20N6O5/c1-15(25)10(23)7(5-22)26-13(15)21-6-16-9-11(21)18-14-17-8(19(2)3)4-20(14)12(9)24/h4,6-7,10,13,22-23,25H,5H2,1-3H3,(H,17,18)/t7-,10-,13-,15-/m1/s1
chemicalCompound:standardIn...	NWJIJLCBVBVONG-ZEJIMRTRSA-N
chemicalCompound:canonicalS...	CN(C)C1=CN2C(=Nc3c(ncn3[C@@H]4O[C@H](CO)[C@@H](O)[C@@]4(C)O)C2=O)N1
chemicalCompound:molecularF...	C15H20N6O5
chemicalCompound:moleculeId	569485
chemicalCompound:mwFreebase	364.357
chemicalCompound:alogp	-1.794
chemicalCompound:hba	9
chemicalCompound:hbd	4
chemicalCompound:psa	135.68
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.232
chemicalCompound:acdLogP	-0.545
chemicalCompound:acdLogD	-0.545
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	364.357
chemicalCompound:acdMostBpk...	3.999
chemicalCompound:chemblId	CHEMBL579248
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:669485
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:2909829, activity:2909842, activity:2917782, activity:2917814, activity:2917845, activity:2917879, activity:2917889