29466

Source:http://linkedlifedata.com/resource/chembl/compound/29466

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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/C17H26N2O3/c1-4-12-8-9-14(20)15(16(12)22-3)17(21)18-11-13-7-6-10-19(13)5-2/h8-9,13,20H,4-7,10-11H2,1-3H3,(H,18,21)/t13-/m0/s1
chemicalCompound:standardIn...	OQXGPPSRXAKOOA-ZDUSSCGKSA-N
chemicalCompound:canonicalS...	CCN1CCC[C@H]1CNC(=O)c2c(O)ccc(CC)c2OC
chemicalCompound:molecularF...	C17 H26 N2 O3
chemicalCompound:moleculeId	29466
chemicalCompound:mwFreebase	306.4
chemicalCompound:alogp	2.699
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	61.8
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.209
chemicalCompound:acdLogP	2.772
chemicalCompound:acdLogD	0.908
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	306.4
chemicalCompound:acdMostBpk...	8.97
chemicalCompound:chemblId	CHEMBL431490
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:129466
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:46524, activity:46525, activity:46526