179595

Source:http://linkedlifedata.com/resource/chembl/compound/179595

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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:179595_Sinapic Acid_OTHER
chemicalCompound:standardIn...	InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+
chemicalCompound:standardIn...	PCMORTLOPMLEFB-ONEGZZNKSA-N
chemicalCompound:canonicalS...	COc1cc(\C=C\C(=O)O)cc(OC)c1O
chemicalCompound:molecularF...	C11H12O5
chemicalCompound:moleculeId	179595
chemicalCompound:mwFreebase	224.21
chemicalCompound:alogp	1.652
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	75.99
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.526
chemicalCompound:acdLogP	0.997
chemicalCompound:acdLogD	-2.109
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	224.21
chemicalCompound:chemblId	CHEMBL109341
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:279595
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	SINAPINATE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:15714
chemicalCompound:activity	activity:550038, activity:550039, activity:1042680, activity:1237363, activity:1428962, activity:1428963, activity:2080320, activity:2214786, activity:2292967, activity:2292976, activity:2297980, activity:2298451, activity:2577018, activity:2577027, activity:2577036, activity:2577045, activity:2577054, activity:2577063, activity:5202390, activity:5202402, activity:6160080, activity:6160099, activity:6876867, activity:6998635