106248

Source:http://linkedlifedata.com/resource/chembl/compound/106248

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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/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
chemicalCompound:standardIn...	XFDUHJPVQKIXHO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1cccc(c1)C(=O)O
chemicalCompound:molecularF...	C7H7NO2
chemicalCompound:moleculeId	106248
chemicalCompound:mwFreebase	137.136
chemicalCompound:alogp	0.713
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	63.31
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.342
chemicalCompound:acdLogP	0.773
chemicalCompound:acdLogD	-1.983
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	137.136
chemicalCompound:acdMostBpk...	4.751
chemicalCompound:chemblId	CHEMBL307782
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:206248
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-AMINOBENZOIC ACID
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:42682
chemicalCompound:activity	activity:48106, activity:224874, activity:224875, activity:224876, activity:224877, activity:327120, activity:963762, activity:2150445, activity:2150452, activity:2527076, activity:2527080, activity:3695372, activity:3720647, activity:4812782, activity:6834035, activity:7928331, activity:7929275