48640

Source:http://linkedlifedata.com/resource/chembl/compound/48640

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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/C20H25NO3/c1-4-11-9-13-14-10-12-5-6-15(23-3)18-16(12)20(13,7-8-21(14)2)19(24-18)17(11)22/h5-6,11,13-14,19H,4,7-10H2,1-3H3/t11-,13?,14?,19-,20?/m0/s1
chemicalCompound:standardIn...	JEBHHWOXEIAQTG-ABGYSZCSSA-N
chemicalCompound:canonicalS...	CC[C@H]1CC2C3Cc4ccc(OC)c5O[C@@H](C1=O)C2(CCN3C)c45
chemicalCompound:molecularF...	C20 H25 N O3
chemicalCompound:moleculeId	48640
chemicalCompound:mwFreebase	327.417
chemicalCompound:alogp	2.859
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	38.76
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.613
chemicalCompound:acdLogD	2.453
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	327.417
chemicalCompound:acdMostBpk...	8.533
chemicalCompound:chemblId	CHEMBL35290
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:148640
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:853554, activity:853555