372715

Source:http://linkedlifedata.com/resource/chembl/compound/372715

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C12H17N5O2/c13-12-15-10-9(11(19)16-12)14-6-17(10)8-4-2-1-3-7(8)5-18/h6-8,18H,1-5H2,(H3,13,15,16,19)/t7-,8-/m0/s1
chemicalCompound:standardIn...	YAAJYONGNMSCCO-YUMQZZPRSA-N
chemicalCompound:canonicalS...	Nc1nc(O)c2ncn([C@H]3CCCC[C@H]3CO)c2n1
chemicalCompound:molecularF...	C12 H17 N5 O2
chemicalCompound:moleculeId	372715
chemicalCompound:mwFreebase	263.296
chemicalCompound:alogp	1
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	110.08
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	0.511
chemicalCompound:acdLogP	-0.724
chemicalCompound:acdLogD	-3.224
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	263.296
chemicalCompound:acdMostBpk...	10.265
chemicalCompound:chemblId	CHEMBL222693
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:472715
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:1834666