293128

Source:http://linkedlifedata.com/resource/chembl/compound/293128

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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/C18H11Cl2NO5/c19-12-4-11(14(8-21)15(20)6-12)9-26-13-3-1-2-10(5-13)16(22)7-17(23)18(24)25/h1-7,22H,9H2,(H,24,25)/b16-7-
chemicalCompound:standardIn...	MBPDJQVPBGATFL-APSNUPSMSA-N
chemicalCompound:canonicalS...	OC(=O)C(=O)\C=C(/O)\c1cccc(OCc2cc(Cl)cc(Cl)c2C#N)c1
chemicalCompound:molecularF...	C18 H11 Cl2 N O5
chemicalCompound:moleculeId	293128
chemicalCompound:mwFreebase	392.19
chemicalCompound:alogp	4.04
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	107.62
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.702
chemicalCompound:acdLogP	3.043
chemicalCompound:acdLogD	-0.736
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	392.19
chemicalCompound:chemblId	CHEMBL174719
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:393128
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:345154, activity:345155, activity:345156, activity:345157, activity:345158