611122

Source:http://linkedlifedata.com/resource/chembl/compound/611122

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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/C29H22ClFN8O/c1-40-21-11-13-24-23(15-21)26(22-12-2-16(30)14-25(22)36-24)33-18-7-9-20(10-8-18)35-29-38-27(32)37-28(39-29)34-19-5-3-17(31)4-6-19/h2-15H,1H3,(H,33,36)(H4,32,34,35,37,38,39)
chemicalCompound:standardIn...	IISIJWXORVUOQJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc2nc3cc(Cl)ccc3c(Nc4ccc(Nc5nc(N)nc(Nc6ccc(F)cc6)n5)cc4)c2c1
chemicalCompound:molecularF...	C29H22ClFN8O
chemicalCompound:moleculeId	611122
chemicalCompound:mwFreebase	552.989
chemicalCompound:alogp	7.789
chemicalCompound:hba	9
chemicalCompound:hbd	4
chemicalCompound:psa	122.9
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.586
chemicalCompound:acdLogD	6.262
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	552.989
chemicalCompound:acdMostBpk...	7.446
chemicalCompound:chemblId	CHEMBL1081967
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:711122
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:3211639, activity:3211662