1122333

Source:http://linkedlifedata.com/resource/chembl/compound/1122333

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:44717
chemicalCompound:standardIn...	InChI=1S/C9H8N2O3.BrH/c1-4-7-5(11-9(14)10-4)2-3-6(12)8(7)13;/h2-3,12-13H,1H3,(H,10,11,14);1H
chemicalCompound:standardIn...	NSNFTLRRTLZHNU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Br.Cc1nc(O)nc2ccc(O)c(O)c12
chemicalCompound:molecularF...	C9H9BrN2O3
chemicalCompound:moleculeId	1122333
chemicalCompound:mwFreebase	192.171
chemicalCompound:alogp	1.465
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	86.47
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.791
chemicalCompound:acdLogP	0.162
chemicalCompound:acdLogD	-2.937
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	273.083
chemicalCompound:acdMostBpk...	13.267
chemicalCompound:chemblId	CHEMBL1743762
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222333
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:652088, activity:652089, activity:652090, activity:652091, activity:652092