550540

Source:http://linkedlifedata.com/resource/chembl/compound/550540

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:663236
chemicalCompound:standardIn...	InChI=1S/C6H10N2O2.ClH/c1-10-6(9)5-2-7-4-8-3-5;/h4-5H,2-3H2,1H3,(H,7,8);1H
chemicalCompound:standardIn...	CABORNMPUYGHNU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COC(=O)C1CNC=NC1
chemicalCompound:molecularF...	C6H11ClN2O2
chemicalCompound:moleculeId	550540
chemicalCompound:mwFreebase	142.156
chemicalCompound:alogp	-0.76
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	50.69
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.344
chemicalCompound:acdLogD	-2.334
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	178.617
chemicalCompound:acdMostBpk...	11.011
chemicalCompound:chemblId	CHEMBL538467
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:650540
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:162891, activity:162892, activity:162893, activity:162894, activity:162895, activity:162896, activity:162897, activity:162898, activity:162899, activity:162900, activity:162901, activity:162902, activity:162903, activity:162904, activity:162905, activity:162906, activity:162907, activity:162908, activity:162909, activity:162910, activity:321529, activity:321530, activity:908515, activity:908516, activity:908517, activity:908518, activity:908519, activity:908520