29753

Source:http://linkedlifedata.com/resource/chembl/compound/29753

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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/C18H28N2O3/c1-5-13-9-10-15(22-3)16(17(13)23-4)18(21)19-12-14-8-7-11-20(14)6-2/h9-10,14H,5-8,11-12H2,1-4H3,(H,19,21)/t14-/m0/s1
chemicalCompound:standardIn...	GGEDSWLSSJZGKV-AWEZNQCLSA-N
chemicalCompound:canonicalS...	CCN1CCC[C@H]1CNC(=O)c2c(OC)ccc(CC)c2OC
chemicalCompound:molecularF...	C18 H28 N2 O3
chemicalCompound:moleculeId	29753
chemicalCompound:mwFreebase	320.427
chemicalCompound:alogp	2.924
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	50.8
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.128
chemicalCompound:acdLogD	0.312
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	320.427
chemicalCompound:acdMostBpk...	8.97
chemicalCompound:chemblId	CHEMBL282925
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:129753
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:47786, activity:47787, activity:47788, activity:3550761