471685

Source:http://linkedlifedata.com/resource/chembl/compound/471685

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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/C20H13ClF15N3O/c21-9-2-3-10-11(4-7-38-12(10)8-9)37-5-1-6-39-13(40)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)36/h2-4,7-8H,1,5-6H2,(H,37,38)(H,39,40)
chemicalCompound:standardIn...	DGNZYTNYLZILFU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NCCCNc1ccnc2cc(Cl)ccc12
chemicalCompound:molecularF...	C20H13ClF15N3O
chemicalCompound:moleculeId	471685
chemicalCompound:mwFreebase	631.766
chemicalCompound:alogp	5.782
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	54.02
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.944
chemicalCompound:acdLogP	8.397
chemicalCompound:acdLogD	8.357
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	631.766
chemicalCompound:acdMostBpk...	6.389
chemicalCompound:chemblId	CHEMBL466381
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:571685
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:2246383, activity:2266917, activity:2266968