48192

Source:http://linkedlifedata.com/resource/chembl/compound/48192

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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/C20H23NO2/c1-22-19-11-15-16(12-20(19)23-2)18-9-6-10-21(18)13-17(15)14-7-4-3-5-8-14/h3-5,7-8,11-12,17-18H,6,9-10,13H2,1-2H3/t17-,18+/m0/s1
chemicalCompound:standardIn...	RKFMEOUFVPJFKZ-ZWKOTPCHSA-N
chemicalCompound:canonicalS...	COc1cc2[C@H]3CCCN3C[C@@H](c4ccccc4)c2cc1OC
chemicalCompound:molecularF...	C20 H23 N O2
chemicalCompound:moleculeId	48192
chemicalCompound:mwFreebase	309.402
chemicalCompound:alogp	3.786
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	21.7
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.3
chemicalCompound:acdLogD	1.73
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	309.402
chemicalCompound:acdMostBpk...	7.835
chemicalCompound:chemblId	CHEMBL34875
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:148192
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:743541, activity:743542, activity:743543, activity:743544, activity:743545, activity:743546, activity:743547