1229467

Source:http://linkedlifedata.com/resource/chembl/compound/1229467

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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:1062475
chemicalCompound:standardIn...	InChI=1S/C6H3Cl2NO2.C2H7NO/c7-3-1-2-4(8)9-5(3)6(10)11;3-1-2-4/h1-2H,(H,10,11);4H,1-3H2
chemicalCompound:standardIn...	NQQBTWVFKDDVIB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NCCO.OC(=O)c1nc(Cl)ccc1Cl
chemicalCompound:molecularF...	C8H10Cl2N2O3
chemicalCompound:moleculeId	1229467
chemicalCompound:mwFreebase	192
chemicalCompound:alogp	2.275
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	50.19
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.021
chemicalCompound:acdLogP	1.589
chemicalCompound:acdLogD	-1.558
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	253.083
chemicalCompound:chemblId	CHEMBL1888896
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1329467
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:7022403, activity:7048525