13449

Source:http://linkedlifedata.com/resource/chembl/compound/13449

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:13449_Caproic acid_OTHER
chemicalCompound:standardIn...	InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
chemicalCompound:standardIn...	FUZZWVXGSFPDMH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCC(=O)O
chemicalCompound:molecularF...	C6H12O2
chemicalCompound:moleculeId	13449
chemicalCompound:mwFreebase	116.158
chemicalCompound:alogp	1.83
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	37.29
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.781
chemicalCompound:acdLogP	1.716
chemicalCompound:acdLogD	-0.873
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	116.158
chemicalCompound:chemblId	CHEMBL14184
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:113449
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	HEXANOATE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:30776
chemicalCompound:activity	activity:777874, activity:777875, activity:777876, activity:777877, activity:777878, activity:777879, activity:1506059, activity:2047882, activity:2182643, activity:2182644, activity:2182688, activity:2202422, activity:2202423, activity:2464357, activity:2531914, activity:2531915, activity:2531916, activity:2531917, activity:2531918, activity:2531919, activity:2531920, activity:2531921, activity:2531922, activity:2531923, activity:2531924, activity:2531925, activity:2531926, activity:2531927, activity:7565106, activity:7565107, activity:7920780, activity:7920794, activity:7920806, activity:7920827, activity:7920848, activity:7920871, activity:7920895, activity:7936056, activity:7936077, activity:7936099, activity:7936120, activity:7936142, activity:7936163