261684

Source:http://linkedlifedata.com/resource/chembl/compound/261684

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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/C13H15N3O2/c1-18-12(17)15-11-14-8-13(16-11)7-6-9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H2,14,15,16,17)
chemicalCompound:standardIn...	LRFZEPBRETVMMN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)NC1=NC2(CCc3ccccc23)CN1
chemicalCompound:molecularF...	C13 H15 N3 O2
chemicalCompound:moleculeId	261684
chemicalCompound:mwFreebase	245.277
chemicalCompound:alogp	1.875
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	62.72
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.726
chemicalCompound:acdLogD	1.348
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	245.277
chemicalCompound:acdMostBpk...	9.016
chemicalCompound:chemblId	CHEMBL347377
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:361684
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:817057, activity:817058, activity:817059, activity:817060, activity:817061, activity:817062, activity:817063