64157

Source:http://linkedlifedata.com/resource/chembl/compound/64157

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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/C24H26N4O2/c1-15-6-5-7-19-20(16(2)28(4)23(15)19)14-27(3)22(30)11-8-17-12-18-9-10-21(29)26-24(18)25-13-17/h5-8,11-13H,9-10,14H2,1-4H3,(H,25,26,29)/b11-8+
chemicalCompound:standardIn...	RBOIMOUDCYEGGN-DHZHZOJOSA-N
chemicalCompound:canonicalS...	CN(Cc1c(C)n(C)c2c(C)cccc12)C(=O)\C=C\c3cnc4NC(=O)CCc4c3
chemicalCompound:molecularF...	C24 H26 N4 O2
chemicalCompound:moleculeId	64157
chemicalCompound:mwFreebase	402.489
chemicalCompound:alogp	3.26
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	67.23
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.917
chemicalCompound:acdLogP	1.996
chemicalCompound:acdLogD	1.996
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	402.489
chemicalCompound:acdMostBpk...	2.898
chemicalCompound:chemblId	CHEMBL46425
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:164157
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:32649, activity:32650, activity:32651, activity:32652, activity:32653, activity:32654, activity:32655, activity:32656, activity:32657, activity:32658