1065

Source:http://linkedlifedata.com/resource/chembl/compound/1065

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/C12H17N5O/c1-12(2)16-10(13)15-11(14)17(12)8-5-4-6-9(7-8)18-3/h4-7H,1-3H3,(H4,13,14,15,16)
chemicalCompound:standardIn...	IANXQZFGCPHWLQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc(c1)N2C(=NC(=NC2(C)C)N)N
chemicalCompound:molecularF...	C12 H17 N5 O
chemicalCompound:moleculeId	1065
chemicalCompound:mwFreebase	247.296
chemicalCompound:alogp	0.943
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	89.23
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.533
chemicalCompound:acdLogD	-1.343
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	247.296
chemicalCompound:acdMostBpk...	9.872
chemicalCompound:chemblId	CHEMBL266319
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101065
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:44517, activity:214114, activity:214115, activity:389477, activity:455122, activity:455123, activity:455124, activity:492785, activity:505647, activity:510715, activity:518195, activity:562791, activity:660494, activity:977142, activity:977143, activity:1140808