858146

Source:http://linkedlifedata.com/resource/chembl/compound/858146

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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/C13H7Cl3N2O4/c14-6-3-8(12(19)10(16)4-6)13(20)17-11-2-1-7(18(21)22)5-9(11)15/h1-5,19H,(H,17,20)
chemicalCompound:standardIn...	MNCDXBIGADXSNN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1c(Cl)cc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-]
chemicalCompound:molecularF...	C13H7Cl3N2O4
chemicalCompound:moleculeId	858146
chemicalCompound:mwFreebase	361.565
chemicalCompound:alogp	4.26
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	95.15
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.949
chemicalCompound:acdLogP	4.096
chemicalCompound:acdLogD	2.722
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	361.565
chemicalCompound:chemblId	CHEMBL1434262
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:958146
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:4358879, activity:5378338, activity:5486299, activity:6851693, activity:6904861, activity:6967656, activity:7201116, activity:7303091