860280

Source:http://linkedlifedata.com/resource/chembl/compound/860280

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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:379
chemicalCompound:standardIn...	InChI=1S/C11H10N2.ClHO4/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;2-1(3,4)5/h1-4,7,13H,5-6H2;(H,2,3,4,5)
chemicalCompound:standardIn...	JHMDOFLXOBNLRB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCl(=O)(=O)=O.C1Cc2c(C=N1)[nH]c3ccccc23
chemicalCompound:molecularF...	C11H11ClN2O4
chemicalCompound:moleculeId	860280
chemicalCompound:mwFreebase	170.21
chemicalCompound:alogp	2.509
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	28.15
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.878
chemicalCompound:acdLogD	1.79
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	270.669
chemicalCompound:acdMostBpk...	6.758
chemicalCompound:chemblId	CHEMBL1436396
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:960280
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:4522642, activity:6477353, activity:6939992, activity:7017265, activity:7260223, activity:7361886, activity:7433608, activity:9782754, activity:10552039