654897

Source:http://linkedlifedata.com/resource/chembl/compound/654897

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C40H86N2/c1-7-9-11-13-15-17-21-25-29-33-37-41(3,4)39-35-31-27-23-19-20-24-28-32-36-40-42(5,6)38-34-30-26-22-18-16-14-12-10-8-2/h7-40H2,1-6H3/q+2
chemicalCompound:standardIn...	MFXWZEREAXSLCZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC
chemicalCompound:molecularF...	C40H86N2
chemicalCompound:moleculeId	654897
chemicalCompound:mwFreebase	595.124
chemicalCompound:alogp	11.997
chemicalCompound:hba	0
chemicalCompound:hbd	0
chemicalCompound:psa	0
chemicalCompound:rtb	35
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.98
chemicalCompound:acdLogD	3.98
chemicalCompound:fullMwt	595.124
chemicalCompound:chemblId	CHEMBL1180947
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:754897
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No