52837

Source:http://linkedlifedata.com/resource/chembl/compound/52837

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C8H8O2/c1-6(2)8(9)7-4-3-5-10-7/h3-5H,1H2,2H3
chemicalCompound:standardIn...	HWCHHYSIVLBULK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=C)C(=O)c1occc1
chemicalCompound:molecularF...	C8 H8 O2
chemicalCompound:moleculeId	52837
chemicalCompound:mwFreebase	136.148
chemicalCompound:alogp	2.109
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	30.21
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.877
chemicalCompound:acdLogD	1.877
chemicalCompound:fullMwt	136.148
chemicalCompound:chemblId	CHEMBL37530
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:152837
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:33221, activity:33222, activity:33223