106186

Source:http://linkedlifedata.com/resource/chembl/compound/106186

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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/C24H24N6O3/c1-32-20-12-17(9-10-19(20)21-13-25-15-33-21)26-23-27-22(16-6-3-2-4-7-16)28-24(29-23)30-11-5-8-18(30)14-31/h2-4,6-7,9-10,12-13,15,18,31H,5,8,11,14H2,1H3,(H,26,27,28,29)/t18-/m1/s1
chemicalCompound:standardIn...	ZHXRMERHYGVZEB-GOSISDBHSA-N
chemicalCompound:canonicalS...	COc1cc(Nc2nc(nc(n2)c3ccccc3)N4CCC[C@@H]4CO)ccc1c5ocnc5
chemicalCompound:molecularF...	C24 H24 N6 O3
chemicalCompound:moleculeId	106186
chemicalCompound:mwFreebase	444.486
chemicalCompound:alogp	2.703
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	109.43
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.583
chemicalCompound:acdLogD	4.583
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	444.486
chemicalCompound:acdMostBpk...	3.987
chemicalCompound:chemblId	CHEMBL303608
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:206186
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:513693, activity:513694