33937

Source:http://linkedlifedata.com/resource/chembl/compound/33937

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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/C25H26ClF3N4O5S/c1-3-4-9-21-31-23(26)20(14-22(34)38-2)33(21)15-16-10-12-17(13-11-16)30-24(35)18-7-5-6-8-19(18)32-39(36,37)25(27,28)29/h5-8,10-13,32H,3-4,9,14-15H2,1-2H3,(H,30,35)
chemicalCompound:standardIn...	UVBWRYQRNWJJFZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCc1nc(Cl)c(CC(=O)OC)n1Cc2ccc(NC(=O)c3ccccc3NS(=O)(=O)C(F)(F)F)cc2
chemicalCompound:molecularF...	C25 H26 Cl F3 N4 O5 S
chemicalCompound:moleculeId	33937
chemicalCompound:mwFreebase	587.011
chemicalCompound:alogp	6.234
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	127.77
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.501
chemicalCompound:acdLogP	5.606
chemicalCompound:acdLogD	3.61
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	587.011
chemicalCompound:acdMostBpk...	4.09
chemicalCompound:chemblId	CHEMBL24512
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:133937
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:177003, activity:668927, activity:668928