198236

Source:http://linkedlifedata.com/resource/chembl/compound/198236

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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/C15H24N2O4/c1-8-3-9(2)15(17-21)11(4-8)12(18)5-10-6-13(19)16-14(20)7-10/h8-12,18,21H,3-7H2,1-2H3,(H,16,19,20)/b17-15-/t8-,9-,11-,12+/m0/s1
chemicalCompound:standardIn...	MRCRUQMZUROFCW-TZHPJOJBSA-N
chemicalCompound:canonicalS...	C[C@H]1C[C@H](C)\C(=N\O)\[C@@H](C1)[C@H](O)CC2CC(=O)NC(=O)C2
chemicalCompound:molecularF...	C15 H24 N2 O4
chemicalCompound:moleculeId	198236
chemicalCompound:mwFreebase	296.362
chemicalCompound:alogp	1
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	98.99
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.605
chemicalCompound:acdLogP	1.1
chemicalCompound:acdLogD	1.1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	296.362
chemicalCompound:chemblId	CHEMBL421895
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:298236
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:1221348, activity:1221349, activity:1221350