33385

Source:http://linkedlifedata.com/resource/chembl/compound/33385

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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/C27H29ClF6N2O2/c1-24-9-7-16-14(12-35-22-21(28)20(37)8-10-25(16,22)2)15(24)5-6-18(24)23(38)36-19-11-13(26(29,30)31)3-4-17(19)27(32,33)34/h3-4,11,14-16,18,35H,5-10,12H2,1-2H3,(H,36,38)/t14?,15?,16?,18-,24+,25-/m1/s1
chemicalCompound:standardIn...	WBCLDSQCYODIIE-FYXKBQMPSA-N
chemicalCompound:canonicalS...	C[C@]12CCC3C(CNC4=C(Cl)C(=O)CC[C@]34C)C1CC[C@@H]2C(=O)Nc5cc(ccc5C(F)(F)F)C(F)(F)F
chemicalCompound:molecularF...	C27 H29 Cl F6 N2 O2
chemicalCompound:moleculeId	33385
chemicalCompound:mwFreebase	562.975
chemicalCompound:alogp	5.528
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	58.2
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.326
chemicalCompound:acdLogP	5.452
chemicalCompound:acdLogD	5.451
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	562.975
chemicalCompound:acdMostBpk...	4.346
chemicalCompound:chemblId	CHEMBL282037
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:133385
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:299396, activity:299397, activity:299398