8711

Source:http://linkedlifedata.com/resource/chembl/compound/8711

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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/C15H22N6/c1-12-4-5-13(2)21(12)18-14-6-7-15(17-16-14)20-10-8-19(3)9-11-20/h4-7H,8-11H2,1-3H3,(H,16,18)
chemicalCompound:standardIn...	GMXHWRJGGGQZQA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN(CC1)c2ccc(Nn3c(C)ccc3C)nn2
chemicalCompound:molecularF...	C15 H22 N6
chemicalCompound:moleculeId	8711
chemicalCompound:mwFreebase	286.375
chemicalCompound:alogp	1.341
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	49.22
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	0.905
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	286.375
chemicalCompound:acdMostBpk...	7.151
chemicalCompound:chemblId	CHEMBL11613
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:108711
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:729547, activity:729548