6599

Source:http://linkedlifedata.com/resource/chembl/compound/6599

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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/C22H27N3O/c1-25(12-11-16-9-10-20-21(13-16)24-15-23-20)14-17-5-3-7-19-18(17)6-4-8-22(19)26-2/h4,6,8-10,13,15,17H,3,5,7,11-12,14H2,1-2H3,(H,23,24)/t17-/m0/s1
chemicalCompound:standardIn...	WZHOAULQEMIRNU-KRWDZBQOSA-N
chemicalCompound:canonicalS...	COc1cccc2[C@H](CN(C)CCc3ccc4[nH]cnc4c3)CCCc12
chemicalCompound:molecularF...	C22 H27 N3 O
chemicalCompound:moleculeId	6599
chemicalCompound:mwFreebase	349.469
chemicalCompound:alogp	4.518
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	41.15
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.876
chemicalCompound:acdLogP	4.167
chemicalCompound:acdLogD	2.703
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	349.469
chemicalCompound:acdMostBpk...	8.835
chemicalCompound:chemblId	CHEMBL9896
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:106599
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:1236868, activity:1236869