317366

Source:http://linkedlifedata.com/resource/chembl/compound/317366

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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/C20H27N3O3/c1-26-16-3-2-15-10-14(11-18(24)17(15)12-16)4-7-23-8-5-20(6-9-23)19(25)21-13-22-20/h2-3,12,14,22H,4-11,13H2,1H3,(H,21,25)
chemicalCompound:standardIn...	DZMJHVNCESEYBF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc2CC(CCN3CCC4(CC3)NCNC4=O)CC(=O)c2c1
chemicalCompound:molecularF...	C20 H27 N3 O3
chemicalCompound:moleculeId	317366
chemicalCompound:mwFreebase	357.447
chemicalCompound:alogp	1
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	70.67
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.099
chemicalCompound:acdLogD	0.252
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	357.447
chemicalCompound:acdMostBpk...	9.145
chemicalCompound:chemblId	CHEMBL191430
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:417366
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:1481362, activity:1481363, activity:1481364