52772

Source:http://linkedlifedata.com/resource/chembl/compound/52772

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/C10H7BrN2O4/c11-5-1-2-7-6(3-5)9(16)13(4-8(14)15)10(17)12-7/h1-3H,4H2,(H,12,17)(H,14,15)
chemicalCompound:standardIn...	ZSEWQYQESLXXJY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)CN1C(=O)Nc2ccc(Br)cc2C1=O
chemicalCompound:molecularF...	C10 H7 Br N2 O4
chemicalCompound:moleculeId	52772
chemicalCompound:mwFreebase	299.078
chemicalCompound:alogp	1
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	86.71
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.544
chemicalCompound:acdLogP	1.717
chemicalCompound:acdLogD	-1.849
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	299.078
chemicalCompound:chemblId	CHEMBL38108
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:152772
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:1003988, activity:1003989, activity:1003990