121

Source:http://linkedlifedata.com/resource/chembl/compound/121

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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/C15H24N4/c1-3-14(11-16-5-1)12-18-7-9-19(10-8-18)13-15-4-2-6-17-15/h1,3,5,11,15,17H,2,4,6-10,12-13H2/t15-/m0/s1
chemicalCompound:standardIn...	QBFPSJCRZCHYJC-HNNXBMFYSA-N
chemicalCompound:canonicalS...	C([C@@H]1CCCN1)N2CCN(Cc3cccnc3)CC2
chemicalCompound:molecularF...	C15 H24 N4
chemicalCompound:moleculeId	121
chemicalCompound:mwFreebase	260.378
chemicalCompound:alogp	0.802
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	31.4
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.308
chemicalCompound:acdLogD	-2.681
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	260.378
chemicalCompound:acdMostBpk...	11.181
chemicalCompound:chemblId	CHEMBL414181
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100121
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:839833, activity:839834