48708

Source:http://linkedlifedata.com/resource/chembl/compound/48708

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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/C21H26N2O3/c1-22(2)11-13-9-14-15-10-12-5-6-16(25-4)19-17(12)21(14,7-8-23(15)3)20(26-19)18(13)24/h5-6,11,14-15,20H,7-10H2,1-4H3/b13-11+/t14?,15?,20-,21?/m0/s1
chemicalCompound:standardIn...	IGEDSEKZRDPCKN-GSDVBLIKSA-N
chemicalCompound:canonicalS...	COc1ccc2CC3C4C\C(=C/N(C)C)\C(=O)[C@@H]5Oc1c2C45CCN3C
chemicalCompound:molecularF...	C21 H26 N2 O3
chemicalCompound:moleculeId	48708
chemicalCompound:mwFreebase	354.443
chemicalCompound:alogp	1.875
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	42.01
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.06
chemicalCompound:acdLogD	0.132
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	354.443
chemicalCompound:acdMostBpk...	8.312
chemicalCompound:chemblId	CHEMBL289241
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:148708
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:859372, activity:859373