64796

Source:http://linkedlifedata.com/resource/chembl/compound/64796

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/C12H17N5O4/c1-16(2)10-7-11(14-4-13-10)17(5-15-7)12-9(20)8(19)6(3-18)21-12/h4-6,8-9,12,18-20H,3H2,1-2H3
chemicalCompound:standardIn...	WVGPGNPCZPYCLK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)c1ncnc2c1ncn2C3OC(CO)C(O)C3O
chemicalCompound:molecularF...	C12 H17 N5 O4
chemicalCompound:moleculeId	64796
chemicalCompound:mwFreebase	295.294
chemicalCompound:alogp	-0.972
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	116.76
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.107
chemicalCompound:acdLogP	0.084
chemicalCompound:acdLogD	0.083
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	295.294
chemicalCompound:acdMostBpk...	4.216
chemicalCompound:chemblId	CHEMBL42529
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:164796
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:3642787, activity:3657611, activity:3748693, activity:3886909, activity:4252385, activity:4408026, activity:4546191, activity:4797560, activity:4801335, activity:4909535, activity:5005493, activity:5054114, activity:5329502, activity:5451320, activity:5911249, activity:7023151, activity:7265810, activity:7316451, activity:7516946, activity:7541649