81886

Source:http://linkedlifedata.com/resource/chembl/compound/81886

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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/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
chemicalCompound:standardIn...	CCRCUPLGCSFEDV-BQYQJAHWSA-N
chemicalCompound:canonicalS...	COC(=O)\C=C\c1ccccc1
chemicalCompound:molecularF...	C10 H10 O2
chemicalCompound:moleculeId	81886
chemicalCompound:mwFreebase	162.185
chemicalCompound:alogp	2.153
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	26.3
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.458
chemicalCompound:acdLogD	2.458
chemicalCompound:fullMwt	162.185
chemicalCompound:chemblId	CHEMBL55060
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:181886
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	E-METHYL CINNAMATE
chemicalCompound:activity	activity:630105, activity:1062847, activity:6166843