1106259

Source:http://linkedlifedata.com/resource/chembl/compound/1106259

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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/C24H31ClN4O4/c1-24(2,3)33-23(31)28-10-8-17(9-11-28)21-18(22(30)27-12-14-32-15-13-27)16-26-29(21)20-7-5-4-6-19(20)25/h4-7,16-17H,8-15H2,1-3H3
chemicalCompound:standardIn...	UEGHXPGKSGGIQP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)OC(=O)N1CCC(CC1)c2c(cnn2c3ccccc3Cl)C(=O)N4CCOCC4
chemicalCompound:molecularF...	C24H31ClN4O4
chemicalCompound:moleculeId	1106259
chemicalCompound:mwFreebase	474.98
chemicalCompound:alogp	3.428
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	76.89
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.167
chemicalCompound:acdLogD	3.167
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	474.98
chemicalCompound:chemblId	CHEMBL1725528
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1206259
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:5486919, activity:7368174, activity:10608401