1122199

Source:http://linkedlifedata.com/resource/chembl/compound/1122199

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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:1296
chemicalCompound:standardIn...	InChI=1S/C13H16N4.ClH/c1-10-3-2-4-11-13(10)15-9-12(16-11)17-7-5-14-6-8-17;/h2-4,9,14H,5-8H2,1H3;1H
chemicalCompound:standardIn...	IHKSLOHEDWVLTO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cc1cccc2nc(cnc12)N3CCNCC3
chemicalCompound:molecularF...	C13H17ClN4
chemicalCompound:moleculeId	1122199
chemicalCompound:mwFreebase	228.293
chemicalCompound:alogp	1.903
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	41.05
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.833
chemicalCompound:acdLogD	0.871
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	264.754
chemicalCompound:acdMostBpk...	8.345
chemicalCompound:chemblId	CHEMBL1743628
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222199
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:1044318, activity:1044319, activity:1044320, activity:1044321, activity:1044322, activity:1044323