97884

Source:http://linkedlifedata.com/resource/chembl/compound/97884

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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/C19H30N2O3/c1-5-13-11-14(6-2)18(24-4)16(17(13)22)19(23)20-12-15-9-8-10-21(15)7-3/h11,15,22H,5-10,12H2,1-4H3,(H,20,23)/t15-/m0/s1
chemicalCompound:standardIn...	CLYMXDQVLPUPJD-HNNXBMFYSA-N
chemicalCompound:canonicalS...	CCN1CCC[C@H]1CNC(=O)c2c(O)c(CC)cc(CC)c2OC
chemicalCompound:molecularF...	C19 H30 N2 O3
chemicalCompound:moleculeId	97884
chemicalCompound:mwFreebase	334.453
chemicalCompound:alogp	3.641
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	61.8
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.498
chemicalCompound:acdLogP	3.458
chemicalCompound:acdLogD	1.621
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	334.453
chemicalCompound:acdMostBpk...	8.97
chemicalCompound:chemblId	CHEMBL62429
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:197884
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:289912, activity:289913, activity:289914, activity:289915, activity:533142, activity:533143, activity:533144, activity:533145