61725

Source:http://linkedlifedata.com/resource/chembl/compound/61725

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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/C26H30N4O2/c1-17-5-6-22(18(2)11-17)29-26-20(14-27)15-28-23-13-25(24(31-4)12-21(23)26)32-16-19-7-9-30(3)10-8-19/h5-6,11-13,15,19H,7-10,16H2,1-4H3,(H,28,29)
chemicalCompound:standardIn...	YCFQNCQMGGRGHM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc2c(Nc3ccc(C)cc3C)c(cnc2cc1OCC4CCN(C)CC4)C#N
chemicalCompound:molecularF...	C26 H30 N4 O2
chemicalCompound:moleculeId	61725
chemicalCompound:mwFreebase	430.542
chemicalCompound:alogp	5.073
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	70.41
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.159
chemicalCompound:acdLogD	2.634
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	430.542
chemicalCompound:acdMostBpk...	8.934
chemicalCompound:chemblId	CHEMBL40912
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:161725
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:458704, activity:458705, activity:458706