1159093

Source:http://linkedlifedata.com/resource/chembl/compound/1159093

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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/C26H31N3O3/c1-32-23-9-5-4-8-22(23)28-15-12-27(13-16-28)14-17-29-24(30)18-26(19-25(29)31)11-10-20-6-2-3-7-21(20)26/h2-9H,10-19H2,1H3
chemicalCompound:standardIn...	RTQLJFPZJBGGOG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1N2CCN(CCN3C(=O)CC4(CCc5ccccc45)CC3=O)CC2
chemicalCompound:molecularF...	C26H31N3O3
chemicalCompound:moleculeId	1159093
chemicalCompound:mwFreebase	433.543
chemicalCompound:alogp	3.226
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	53.09
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.118
chemicalCompound:acdLogD	2.952
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	433.543
chemicalCompound:acdMostBpk...	7.134
chemicalCompound:chemblId	CHEMBL1796048
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1259093
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:6264451, activity:6264452, activity:6264453