244186

Source:http://linkedlifedata.com/resource/chembl/compound/244186

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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/C21H26N6O/c1-27-25-21(24-26-27)16-10-11-19(28-2)17(13-16)14-23-18-9-6-12-22-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20,22-23H,6,9,12,14H2,1-2H3/t18-,20-/m0/s1
chemicalCompound:standardIn...	QJWDDKFLDNAVJD-ICSRJNTNSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1CN[C@H]2CCCN[C@H]2c3ccccc3)c4nnn(C)n4
chemicalCompound:molecularF...	C21 H26 N6 O
chemicalCompound:moleculeId	244186
chemicalCompound:mwFreebase	378.471
chemicalCompound:alogp	2.731
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	76.89
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.75
chemicalCompound:acdLogD	1.717
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	378.471
chemicalCompound:acdMostBpk...	9.136
chemicalCompound:chemblId	CHEMBL343219
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:344186
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:745463, activity:745464, activity:745465, activity:745466