106021

Source:http://linkedlifedata.com/resource/chembl/compound/106021

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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:106021_3-Hydroxybenzoic Acid_OTHER
chemicalCompound:standardIn...	InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
chemicalCompound:standardIn...	IJFXRHURBJZNAO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1cccc(O)c1
chemicalCompound:molecularF...	C7H6O3
chemicalCompound:moleculeId	106021
chemicalCompound:mwFreebase	138.121
chemicalCompound:alogp	1.217
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	57.53
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.082
chemicalCompound:acdLogP	1.227
chemicalCompound:acdLogD	-1.744
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	138.121
chemicalCompound:chemblId	CHEMBL65369
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:206021
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	3-HYDROXYBENZOIC ACID
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:30764
chemicalCompound:activity	activity:63521, activity:260777, activity:260778, activity:305576, activity:954856, activity:1941568, activity:1941772, activity:2214717, activity:5197928, activity:5197940, activity:5197952, activity:5197964, activity:6285058, activity:6285068, activity:6345012, activity:7948343, activity:7948367