218968

Source:http://linkedlifedata.com/resource/chembl/compound/218968

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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/C17H13Cl2N5O2/c1-8(25)21-16-11(14-12(18)4-3-5-13(14)19)6-10-7-20-17(22-9(2)26)24-15(10)23-16/h3-7H,1-2H3,(H2,20,21,22,23,24,25,26)
chemicalCompound:standardIn...	UNSVWZVINKWBKX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Nc1ncc2cc(c(NC(=O)C)nc2n1)c3c(Cl)cccc3Cl
chemicalCompound:molecularF...	C17 H13 Cl2 N5 O2
chemicalCompound:moleculeId	218968
chemicalCompound:mwFreebase	390.223
chemicalCompound:alogp	2.581
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	96.87
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.72
chemicalCompound:acdLogP	2.675
chemicalCompound:acdLogD	2.639
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	390.223
chemicalCompound:acdMostBpk...	0.971
chemicalCompound:chemblId	CHEMBL133750
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:318968
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:271368, activity:271369, activity:271370, activity:271371