855073

Source:http://linkedlifedata.com/resource/chembl/compound/855073

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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/C11H7Cl2F6NO2/c12-6-2-1-5(3-7(6)13)20-8(21)4-9(22,10(14,15)16)11(17,18)19/h1-3,22H,4H2,(H,20,21)
chemicalCompound:standardIn...	OPKJUDPAICUZRP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(CC(=O)Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F
chemicalCompound:molecularF...	C11H7Cl2F6NO2
chemicalCompound:moleculeId	855073
chemicalCompound:mwFreebase	370.075
chemicalCompound:alogp	3.755
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	49.33
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.931
chemicalCompound:acdLogP	5.59
chemicalCompound:acdLogD	5.575
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	370.075
chemicalCompound:chemblId	CHEMBL1431189
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:955073
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:3667874, activity:3700547, activity:3754696, activity:3771302, activity:3830678, activity:3871795, activity:3903358, activity:3963062, activity:4115301, activity:4286101, activity:4441841, activity:4490183, activity:4590362, activity:4753251, activity:4896228, activity:4909450, activity:4933346, activity:4963816, activity:5340406, activity:5463382, activity:5609327, activity:5692527, activity:5729700, activity:5791244, activity:5917543, activity:5978681, activity:6471654, activity:6672895, activity:6818414, activity:6851172, activity:6968954, activity:7235680, activity:7333244, activity:7355737, activity:7457580, activity:7466847, activity:7548897, activity:8291969, activity:10306592, activity:10608070