62802

Source:http://linkedlifedata.com/resource/chembl/compound/62802

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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/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(24)16-28-21-19(26)22(27)29-20(21)18(25)15-23/h18,20,23,25-26H,2-16H2,1H3
chemicalCompound:standardIn...	ROGBTDQIOXZFNR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCCCCC(=O)COC1=C(O)C(=O)OC1C(O)CO
chemicalCompound:molecularF...	C22 H38 O7
chemicalCompound:moleculeId	62802
chemicalCompound:mwFreebase	414.533
chemicalCompound:alogp	4.24
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	113.29
chemicalCompound:rtb	18
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.02
chemicalCompound:acdLogP	3.661
chemicalCompound:acdLogD	3.652
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	414.533
chemicalCompound:chemblId	CHEMBL42696
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:162802
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:1217610, activity:1217611, activity:1217612, activity:1289381, activity:1289382, activity:1289383