1122535

Source:http://linkedlifedata.com/resource/chembl/compound/1122535

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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:825
chemicalCompound:standardIn...	InChI=1S/C13H16N4.ClH/c1-10-2-3-11-12(8-10)15-9-13(16-11)17-6-4-14-5-7-17;/h2-3,8-9,14H,4-7H2,1H3;1H
chemicalCompound:standardIn...	BNLPSPLBQXBRGW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cc1ccc2nc(cnc2c1)N3CCNCC3
chemicalCompound:molecularF...	C13H17ClN4
chemicalCompound:moleculeId	1122535
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	1.455
chemicalCompound:acdLogD	0.497
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	264.754
chemicalCompound:acdMostBpk...	8.345
chemicalCompound:chemblId	CHEMBL1743964
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222535
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:1051467, activity:1051468, activity:1051469, activity:1051470, activity:1051471, activity:1051472