11976

Source:http://linkedlifedata.com/resource/chembl/compound/11976

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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/C20H25N3O5/c1-27-19(25)17-9-5-6-10-18(17)28-14-16(24)13-21-11-12-22-20(26)23-15-7-3-2-4-8-15/h2-10,16,21,24H,11-14H2,1H3,(H2,22,23,26)
chemicalCompound:standardIn...	AARBZZHMRHZBKX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)c1ccccc1OCC(O)CNCCNC(=O)Nc2ccccc2
chemicalCompound:molecularF...	C20 H25 N3 O5
chemicalCompound:moleculeId	11976
chemicalCompound:mwFreebase	387.43
chemicalCompound:alogp	1.526
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	108.92
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.294
chemicalCompound:acdLogP	1.686
chemicalCompound:acdLogD	0.588
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	387.43
chemicalCompound:acdMostBpk...	8.776
chemicalCompound:chemblId	CHEMBL13299
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:111976
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:31955, activity:31956, activity:31957, activity:31958, activity:743412, activity:743413