289051

Source:http://linkedlifedata.com/resource/chembl/compound/289051

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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/C26H30N4O3/c1-33-25(32)15-21-16-30(23-8-7-20(26(27)28)14-22(21)23)17-24(31)29-11-9-19(10-12-29)13-18-5-3-2-4-6-18/h2-8,14,16,19H,9-13,15,17H2,1H3,(H3,27,28)
chemicalCompound:standardIn...	CLLIVUCEMURYEA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)Cc1cn(CC(=O)N2CCC(Cc3ccccc3)CC2)c4ccc(cc14)C(=N)N
chemicalCompound:molecularF...	C26 H30 N4 O3
chemicalCompound:moleculeId	289051
chemicalCompound:mwFreebase	446.541
chemicalCompound:alogp	3.199
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	101.41
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.919
chemicalCompound:acdLogD	0.922
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	446.541
chemicalCompound:acdMostBpk...	11.626
chemicalCompound:chemblId	CHEMBL422722
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:389051
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:1187988, activity:1187989, activity:1187990