66234

Source:http://linkedlifedata.com/resource/chembl/compound/66234

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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:66234_Stearic acid_OTHER
chemicalCompound:standardIn...	InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
chemicalCompound:standardIn...	QIQXTHQIDYTFRH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCCCCCCCC(=O)O
chemicalCompound:molecularF...	C18H36O2
chemicalCompound:moleculeId	66234
chemicalCompound:mwFreebase	284.477
chemicalCompound:alogp	7.305
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	37.29
chemicalCompound:rtb	16
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.779
chemicalCompound:acdLogP	7.83
chemicalCompound:acdLogD	5.239
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	284.477
chemicalCompound:chemblId	CHEMBL46403
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:166234
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	STEARIC ACID
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:28842
chemicalCompound:activity	activity:670497, activity:670498, activity:795885, activity:917024, activity:2193537, activity:2193544, activity:2430362, activity:2539853, activity:2665768, activity:2677230, activity:3282767, activity:3282780, activity:3282789, activity:3366175, activity:3618433, activity:3714041, activity:3932473, activity:3937387, activity:4454962, activity:4703439, activity:6199085, activity:6199090, activity:6577342, activity:6754300, activity:7475554, activity:7920782, activity:7920796, activity:7920808, activity:7920829, activity:7920850, activity:7920873, activity:7920897, activity:7936058, activity:7936079, activity:7936101, activity:7936122, activity:7936144, activity:7936165