184926

Source:http://linkedlifedata.com/resource/chembl/compound/184926

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/C13H10BrNO4/c1-7-6-10(16)11(13(18)19-7)12(17)15-9-4-2-8(14)3-5-9/h2-6,16H,1H3,(H,15,17)
chemicalCompound:standardIn...	ZIRIVJXXDORKQE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=CC(=C(C(=O)Nc2ccc(Br)cc2)C(=O)O1)O
chemicalCompound:molecularF...	C13 H10 Br N O4
chemicalCompound:moleculeId	184926
chemicalCompound:mwFreebase	324.127
chemicalCompound:alogp	1.792
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	75.63
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.06
chemicalCompound:acdLogP	1.875
chemicalCompound:acdLogD	-0.374
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	324.127
chemicalCompound:chemblId	CHEMBL112320
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:284926
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:103265