48155

Source:http://linkedlifedata.com/resource/chembl/compound/48155

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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/C21H23NO3/c1-11-8-13-9-14-15-10-12-4-5-16(23-3)19-17(12)21(14,6-7-22(15)2)20(25-19)18(13)24-11/h4-5,8,14-15,20H,6-7,9-10H2,1-3H3/t14?,15?,20-,21?/m0/s1
chemicalCompound:standardIn...	BQHDNRWYTDCCBR-OBCMWXAPSA-N
chemicalCompound:canonicalS...	COc1ccc2CC3C4Cc5cc(C)oc5[C@@H]6Oc1c2C46CCN3C
chemicalCompound:molecularF...	C21 H23 N O3
chemicalCompound:moleculeId	48155
chemicalCompound:mwFreebase	337.412
chemicalCompound:alogp	3.089
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	34.84
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.604
chemicalCompound:acdLogD	-0.589
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	337.412
chemicalCompound:acdMostBpk...	8.569
chemicalCompound:chemblId	CHEMBL33031
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:148155
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:846826, activity:846827