1305420

Source:http://linkedlifedata.com/resource/chembl/compound/1305420

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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/C23H17Cl2F3N2O/c24-18-9-16(22(31)19(25)11-18)12-29-20-10-17(23(26,27)28)5-6-21(20)30-8-7-14-3-1-2-4-15(14)13-30/h1-6,9-12,31H,7-8,13H2/b29-12-
chemicalCompound:standardIn...	ZPHAICVFCDDZKO-ULPWCQAASA-N
chemicalCompound:canonicalS...	Oc1c(Cl)cc(Cl)cc1\C=N/c2cc(ccc2N3CCc4ccccc4C3)C(F)(F)F
chemicalCompound:molecularF...	C23H17Cl2F3N2O
chemicalCompound:moleculeId	1305420
chemicalCompound:mwFreebase	465.295
chemicalCompound:alogp	7.276
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	35.83
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.546
chemicalCompound:acdLogP	6.442
chemicalCompound:acdLogD	5.247
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	465.295
chemicalCompound:acdMostBpk...	3.699
chemicalCompound:chemblId	CHEMBL1984129
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1405420
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:3621346, activity:3633757, activity:3721198, activity:3769339, activity:3781771, activity:3843158, activity:3847991, activity:3904075, activity:4040142, activity:4091915, activity:4282098, activity:4449897, activity:4506932, activity:4578777, activity:4605893, activity:4732956, activity:4885690, activity:4929129, activity:4935547, activity:4946345, activity:4983119, activity:5010890, activity:5464876, activity:5555137, activity:5612588, activity:5675311, activity:5913488, activity:6466021, activity:6546574, activity:6635308, activity:6743380, activity:7068299, activity:7178553, activity:7258588, activity:7400326, activity:10453166