654201

Source:http://linkedlifedata.com/resource/chembl/compound/654201

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C27H50N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27/h19-21,23-24H,4-18,22,25-26H2,1-3H3/q+1
chemicalCompound:standardIn...	FWLORMQUOWCQPO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
chemicalCompound:molecularF...	C27H50N
chemicalCompound:moleculeId	654201
chemicalCompound:mwFreebase	388.693
chemicalCompound:alogp	8.264
chemicalCompound:hba	0
chemicalCompound:hbd	0
chemicalCompound:psa	0
chemicalCompound:rtb	19
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.917
chemicalCompound:acdLogD	3.917
chemicalCompound:fullMwt	388.693
chemicalCompound:chemblId	CHEMBL1180251
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:754201
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No