1330042

Source:http://linkedlifedata.com/resource/chembl/compound/1330042

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C41H80NO6/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-47-40(44)39(42(4,5)34-37-46-38(3)43)41(45)48-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h39H,6-37H2,1-5H3/q+1
chemicalCompound:standardIn...	WXRKKIQIMCMNLQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCCCCCCOC(=O)C(C(=O)OCCCCCCCCCCCCCCCC)[N+](C)(C)CCOC(=O)C
chemicalCompound:molecularF...	C41H80NO6
chemicalCompound:moleculeId	1330042
chemicalCompound:mwFreebase	683.077
chemicalCompound:alogp	12.174
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	78.9
chemicalCompound:rtb	39
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.784
chemicalCompound:acdLogP	12.293
chemicalCompound:acdLogD	12.886
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	683.077
chemicalCompound:chemblId	CHEMBL2008791
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1430042
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No