55476

Source:http://linkedlifedata.com/resource/chembl/compound/55476

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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/C18H13BrN4O2/c19-12-2-1-3-13(7-12)22-18-14-6-11-4-5-23(9-17(24)25)16(11)8-15(14)20-10-21-18/h1-8,10H,9H2,(H,24,25)(H,20,21,22)
chemicalCompound:standardIn...	CBFIWURGLMUIDN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)Cn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc12
chemicalCompound:molecularF...	C18 H13 Br N4 O2
chemicalCompound:moleculeId	55476
chemicalCompound:mwFreebase	397.225
chemicalCompound:alogp	3.569
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	80.04
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.241
chemicalCompound:acdLogP	4.003
chemicalCompound:acdLogD	0.683
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	397.225
chemicalCompound:acdMostBpk...	6.414
chemicalCompound:chemblId	CHEMBL289162
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:155476
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:200770, activity:200771, activity:6261301