364180

Source:http://linkedlifedata.com/resource/chembl/compound/364180

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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/C12H18O7/c1-2-3-4-5-8(14)18-6-7(13)11-9(15)10(16)12(17)19-11/h7,11,13,15-16H,2-6H2,1H3/t7-,11+/m0/s1
chemicalCompound:standardIn...	NEUVABJQBCZBNZ-WRWORJQWSA-N
chemicalCompound:canonicalS...	CCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(=C1O)O
chemicalCompound:molecularF...	C12 H18 O7
chemicalCompound:moleculeId	364180
chemicalCompound:mwFreebase	274.267
chemicalCompound:alogp	0.706
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	113.29
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.957
chemicalCompound:acdLogP	-0.123
chemicalCompound:acdLogD	-3.337
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	274.267
chemicalCompound:chemblId	CHEMBL218874
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:464180
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:1794437, activity:1794450