18536

Source:http://linkedlifedata.com/resource/chembl/compound/18536

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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/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
chemicalCompound:standardIn...	AJBBEYXFRYFVNM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCN1C(=O)N(CCC)c2[nH]c(nc2C1=O)c3ccc(OCC(=O)Nc4ccc(cc4)C#N)cc3
chemicalCompound:molecularF...	C26 H26 N6 O4
chemicalCompound:moleculeId	18536
chemicalCompound:mwFreebase	486.522
chemicalCompound:alogp	3.585
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	131.41
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.217
chemicalCompound:acdLogP	4.383
chemicalCompound:acdLogD	4.306
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	486.522
chemicalCompound:acdMostBpk...	1.274
chemicalCompound:chemblId	CHEMBL273807
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:118536
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:68878, activity:68879, activity:68880, activity:68881, activity:68882, activity:68883, activity:68884, activity:68885, activity:68886, activity:797750, activity:797751, activity:797752, activity:797753, activity:797754, activity:797755, activity:864901, activity:864902, activity:864903, activity:864904, activity:864905, activity:1426880, activity:1426881, activity:1426882, activity:1426883, activity:1673862, activity:1673981, activity:1674000, activity:1674103, activity:1674109, activity:1674196, activity:1674475, activity:1674638, activity:1674819, activity:1674857, activity:1674866, activity:1721526, activity:1721530, activity:1721534, activity:1721538, activity:2635508, activity:2635517, activity:2635533, activity:2635542, activity:2636245, activity:2636251, activity:2636252, activity:2636254, activity:2636258, activity:3371870, activity:3371871, activity:3371872, activity:3371873, activity:3473026, activity:3639315, activity:3693396, activity:3717975, activity:3897246, activity:4019985, activity:4358722, activity:4749874, activity:4750182, activity:4853748, activity:4905132, activity:4933734, activity:4977414, activity:5042612