1065027

Source:http://linkedlifedata.com/resource/chembl/compound/1065027

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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/C18H37NO5/c1-3-8-18(24,9-4-2)10-6-5-7-11-19-12-15(21)17(23)16(22)14(19)13-20/h14-17,20-24H,3-13H2,1-2H3/t14-,15+,16-,17-/m1/s1
chemicalCompound:standardIn...	CQUHLFTYRMCWNT-YYIAUSFCSA-N
chemicalCompound:canonicalS...	CCCC(O)(CCC)CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
chemicalCompound:molecularF...	C18H37NO5
chemicalCompound:moleculeId	1065027
chemicalCompound:mwFreebase	347.49
chemicalCompound:alogp	1.653
chemicalCompound:hba	6
chemicalCompound:hbd	5
chemicalCompound:psa	104.39
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.722
chemicalCompound:acdLogP	1.941
chemicalCompound:acdLogD	1.79
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	347.49
chemicalCompound:acdMostBpk...	6.934
chemicalCompound:chemblId	CHEMBL1652115
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1165027
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:5147474, activity:5147485, activity:5147496, activity:5147525