243470

Source:http://linkedlifedata.com/resource/chembl/compound/243470

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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/C25H32N4O/c1-17-24(18(2)29(3)28-17)20-12-13-23(30-4)21(15-20)16-27-22-11-8-14-26-25(22)19-9-6-5-7-10-19/h5-7,9-10,12-13,15,22,25-27H,8,11,14,16H2,1-4H3/t22-,25-/m0/s1
chemicalCompound:standardIn...	ANZFXGLNFJTREE-DHLKQENFSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1CN[C@H]2CCCN[C@H]2c3ccccc3)c4c(C)nn(C)c4C
chemicalCompound:molecularF...	C25 H32 N4 O
chemicalCompound:moleculeId	243470
chemicalCompound:mwFreebase	404.548
chemicalCompound:alogp	3.652
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	51.11
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.763
chemicalCompound:acdLogD	1.648
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	404.548
chemicalCompound:acdMostBpk...	9.151
chemicalCompound:chemblId	CHEMBL144793
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:343470
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:745460, activity:745461, activity:745462