557236

Source:http://linkedlifedata.com/resource/chembl/compound/557236

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:557236_AW-01208_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C21H23Cl3FN3O/c22-17-3-1-4-20(25)16(17)14-28-11-9-27(10-12-28)8-2-7-26-21(29)15-5-6-18(23)19(24)13-15/h1,3-6,13H,2,7-12,14H2,(H,26,29)
chemicalCompound:standardIn...	FFQDIGGVTGXCIX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1cccc(Cl)c1CN2CCN(CCCNC(=O)c3ccc(Cl)c(Cl)c3)CC2
chemicalCompound:molecularF...	C21H23Cl3FN3O
chemicalCompound:moleculeId	557236
chemicalCompound:mwFreebase	458.784
chemicalCompound:alogp	4.978
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	35.58
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.62
chemicalCompound:acdLogP	4.261
chemicalCompound:acdLogD	4.034
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	458.784
chemicalCompound:acdMostBpk...	7.221
chemicalCompound:chemblId	CHEMBL560532
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:657236
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:2702708, activity:2702709, activity:2702710, activity:2702711, activity:2702712, activity:2702713, activity:2702714, activity:2702715, activity:2702716, activity:2702717