17947

Source:http://linkedlifedata.com/resource/chembl/compound/17947

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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/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13?,14?,16-,17?,19+,21?,22?,23-,24?/m0/s1
chemicalCompound:standardIn...	FEBLZLNTKCEFIT-SQUNSRDCSA-N
chemicalCompound:canonicalS...	CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=CC5(C)[C@@]4(F)C(O)CC3(C)C2(O1)C(=O)CO
chemicalCompound:molecularF...	C24 H30 F2 O6
chemicalCompound:moleculeId	17947
chemicalCompound:mwFreebase	452.488
chemicalCompound:alogp	0.995
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	93.06
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.776
chemicalCompound:acdLogP	2.233
chemicalCompound:acdLogD	2.233
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	452.488
chemicalCompound:chemblId	CHEMBL279775
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:117947
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:446010, activity:446011, activity:446012, activity:446013, activity:446014, activity:446015, activity:446016, activity:446017, activity:446018, activity:446019