391487

Source:http://linkedlifedata.com/resource/chembl/compound/391487

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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/C7H6O3/c8-4-5-1-2-6(9)3-7(5)10/h1-4,9-10H
chemicalCompound:standardIn...	IUNJCFABHJZSKB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc(C=O)c(O)c1
chemicalCompound:molecularF...	C7H6O3
chemicalCompound:moleculeId	391487
chemicalCompound:mwFreebase	138.121
chemicalCompound:alogp	1.105
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	57.53
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.563
chemicalCompound:acdLogP	1.229
chemicalCompound:acdLogD	0.931
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	138.121
chemicalCompound:chemblId	CHEMBL243587
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:491487
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:50198
chemicalCompound:activity	activity:1941597, activity:1941673, activity:3218689, activity:5020577, activity:6523787