158597

Source:http://linkedlifedata.com/resource/chembl/compound/158597

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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/C14H19N5O3/c15-12-11-13(17-7-16-12)19(8-18-11)6-10(20)14(21)22-9-4-2-1-3-5-9/h7-10,20H,1-6H2,(H2,15,16,17)
chemicalCompound:standardIn...	ZLYFUAKSNHFQNX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ncnc2c1ncn2CC(O)C(=O)OC3CCCCC3
chemicalCompound:molecularF...	C14 H19 N5 O3
chemicalCompound:moleculeId	158597
chemicalCompound:mwFreebase	305.332
chemicalCompound:alogp	0.925
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	116.15
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.916
chemicalCompound:acdLogP	1.923
chemicalCompound:acdLogD	1.923
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	305.332
chemicalCompound:acdMostBpk...	4.025
chemicalCompound:chemblId	CHEMBL95555
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:258597
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:188019, activity:188020, activity:188021, activity:188022, activity:188023, activity:188024, activity:188025, activity:188026, activity:188027, activity:188028, activity:188029, activity:188030, activity:188031, activity:188032, activity:188033, activity:188034, activity:188035, activity:188036, activity:188037, activity:188038, activity:188039, activity:188040