1302180

Source:http://linkedlifedata.com/resource/chembl/compound/1302180

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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/C11H9BrN4O/c12-9-7-14-15-10(9)11(17)16-13-6-8-4-2-1-3-5-8/h1-7H,(H,14,15)(H,16,17)/b13-6+
chemicalCompound:standardIn...	HGHXQEAQLCPUAU-AWNIVKPZSA-N
chemicalCompound:canonicalS...	Brc1c[nH]nc1C(=O)N\N=C\c2ccccc2
chemicalCompound:molecularF...	C11H9BrN4O
chemicalCompound:moleculeId	1302180
chemicalCompound:mwFreebase	293.119
chemicalCompound:alogp	2.304
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	70.14
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.486
chemicalCompound:acdLogP	2.078
chemicalCompound:acdLogD	2.078
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	293.119
chemicalCompound:chemblId	CHEMBL1980889
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1402180
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:3845007, activity:3852538, activity:3882801, activity:3907141, activity:3957632, activity:4084496, activity:4279923, activity:4630727, activity:4741246, activity:4783476, activity:4936020, activity:5440210, activity:5603038, activity:5676879, activity:5898915, activity:6929220, activity:7010119, activity:7078590, activity:7267843, activity:7424287, activity:7462721, activity:10448727