920964

Source:http://linkedlifedata.com/resource/chembl/compound/920964

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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/C20H16Br2N4O4/c1-11-6-17(25-24-11)19(27)26-23-10-13-7-14(21)9-16(22)18(13)30-20(28)12-4-3-5-15(8-12)29-2/h3-10H,1-2H3,(H,24,25)(H,26,27)
chemicalCompound:standardIn...	IIGUEBRRJNVEPH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc(c1)C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c3cc(C)[nH]n3
chemicalCompound:molecularF...	C20H16Br2N4O4
chemicalCompound:moleculeId	920964
chemicalCompound:mwFreebase	536.173
chemicalCompound:alogp	4.613
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	105.67
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.217
chemicalCompound:acdLogP	4.806
chemicalCompound:acdLogD	4.806
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	536.173
chemicalCompound:acdMostBpk...	1.082
chemicalCompound:chemblId	CHEMBL1497080
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1020964
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:3736671, activity:3772067, activity:3832913, activity:4079889, activity:4108928, activity:4129918, activity:4388277, activity:4465093, activity:4732006, activity:5004965, activity:5053625, activity:5422580, activity:5573403, activity:5870419, activity:6462779, activity:6777044, activity:6884530, activity:7029934, activity:7054447, activity:7161699