25843

Source:http://linkedlifedata.com/resource/chembl/compound/25843

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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:25843_4-Chlorobenzoic Acid_OTHER
chemicalCompound:standardIn...	InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
chemicalCompound:standardIn...	XRHGYUZYPHTUJZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1ccc(Cl)cc1
chemicalCompound:molecularF...	C7H5ClO2
chemicalCompound:moleculeId	25843
chemicalCompound:mwFreebase	156.566
chemicalCompound:alogp	2.124
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	37.29
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.972
chemicalCompound:acdLogP	2.476
chemicalCompound:acdLogD	-0.491
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	156.566
chemicalCompound:chemblId	CHEMBL618
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:125843
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	4-CHLORO-BENZOIC ACID
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:30747
chemicalCompound:activity	activity:102089, activity:244364, activity:244365, activity:244366, activity:244367, activity:244368, activity:244369, activity:958856, activity:1256399, activity:3912507, activity:4467664, activity:4722921, activity:4723456, activity:4778711, activity:6514382, activity:6654949, activity:6894437, activity:7948346, activity:7948370