612262

Source:http://linkedlifedata.com/resource/chembl/compound/612262

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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/C14H13Cl2N3O3/c1-14(2,3)12-18-19(13(20)22-12)10-7-11(21-5-4-17)9(16)6-8(10)15/h6-7H,5H2,1-3H3
chemicalCompound:standardIn...	IQWMUTFHGXREBR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)C1=NN(C(=O)O1)c2cc(OCC#N)c(Cl)cc2Cl
chemicalCompound:molecularF...	C14H13Cl2N3O3
chemicalCompound:moleculeId	612262
chemicalCompound:mwFreebase	342.177
chemicalCompound:alogp	4.228
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	74.92
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.833
chemicalCompound:acdLogD	2.833
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	342.177
chemicalCompound:chemblId	CHEMBL1079405
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:712262
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	OXADIARGYL
chemicalCompound:activity	activity:3218613