262211

Source:http://linkedlifedata.com/resource/chembl/compound/262211

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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/C11H11Cl2N3O2/c1-18-11(17)16-10-14-5-8(15-10)9-6(12)3-2-4-7(9)13/h2-4,8H,5H2,1H3,(H2,14,15,16,17)
chemicalCompound:standardIn...	LJTJBIYLDAEOHC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)NC1=NC(CN1)c2c(Cl)cccc2Cl
chemicalCompound:molecularF...	C11 H11 Cl2 N3 O2
chemicalCompound:moleculeId	262211
chemicalCompound:mwFreebase	288.13
chemicalCompound:alogp	2.817
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	62.72
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.836
chemicalCompound:acdLogP	2.314
chemicalCompound:acdLogD	2.228
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	288.13
chemicalCompound:acdMostBpk...	6.309
chemicalCompound:chemblId	CHEMBL158321
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:362211
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:811962, activity:811963, activity:811964, activity:811965, activity:811966, activity:811967, activity:811968, activity:811969, activity:811970, activity:811971