788202

Source:http://linkedlifedata.com/resource/chembl/compound/788202

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/C19H15BrN2O3/c20-15-9-7-14(8-10-15)13-25-18-6-2-1-5-17(18)19(23)22-21-12-16-4-3-11-24-16/h1-12H,13H2,(H,22,23)
chemicalCompound:standardIn...	PJIWVCXHHYRWTN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Brc1ccc(COc2ccccc2C(=O)NN=Cc3occc3)cc1
chemicalCompound:molecularF...	C19H15BrN2O3
chemicalCompound:moleculeId	788202
chemicalCompound:mwFreebase	399.238
chemicalCompound:alogp	4.394
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	63.83
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.162
chemicalCompound:acdLogP	4.408
chemicalCompound:acdLogD	4.408
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	399.238
chemicalCompound:chemblId	CHEMBL1364318
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:888202
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:3640407, activity:3776818, activity:4257604, activity:4729439, activity:5333926, activity:5423571, activity:5588161, activity:5889664, activity:6589726, activity:7188331, activity:7384799, activity:7526872