169054

Source:http://linkedlifedata.com/resource/chembl/compound/169054

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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:169054_CI-1040_RESEARCH_CODE, synonym:169054_PD-184352_RESEARCH_CODE, synonym:169054_PD-18435_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)
chemicalCompound:standardIn...	GFMMXOIFOQCCGU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(C(=O)NOCC2CC2)c(Nc3ccc(I)cc3Cl)c1F
chemicalCompound:molecularF...	C17H14ClF2IN2O2
chemicalCompound:moleculeId	169054
chemicalCompound:mwFreebase	478.66
chemicalCompound:alogp	4.907
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	50.36
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.013
chemicalCompound:acdLogD	6.013
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	478.66
chemicalCompound:chemblId	CHEMBL105442
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:269054
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:511006, activity:511007, activity:511008, activity:1927780, activity:1927886, activity:1928057, activity:1928132, activity:1928656, activity:1928657, activity:2122599, activity:2401035, activity:2401036, activity:2401037, activity:2401038, activity:2401039, activity:2401040, activity:2401041, activity:2590305, activity:2590319, activity:2590333, activity:2590338, activity:2590346, activity:2591050, activity:2591052, activity:2591054, activity:2591056, activity:2591059, activity:2591060, activity:2591063, activity:2591064, activity:2591067, activity:2591068, activity:2591071, activity:2891664, activity:2891735, activity:2891817, activity:2891888, activity:2891959, activity:2892877, activity:2892948, activity:2893019, activity:2893090, activity:2893161, activity:2893734, activity:2893805, activity:2893876, activity:2893947, activity:2894018, activity:2894515, activity:2894586, activity:2894657, activity:2894701, activity:2895591, activity:2895662, activity:2896269, activity:2896340, activity:2896411, activity:2897250, activity:2897254, activity:2897373, activity:2898296, activity:2898367, activity:2898441, activity:2898515, activity:2898586