34815

Source:http://linkedlifedata.com/resource/chembl/compound/34815

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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/c1-3-4-5-21-31-23(26)20(14-22(34)38-2)33(21)15-16-6-10-18(11-7-16)30-24(35)17-8-12-19(13-9-17)32-39(36,37)25(27,28)29/h6-13,32H,3-5,14-15H2,1-2H3,(H,30,35)
chemicalCompound:standardIn...	LVRIMNBHFOSLQU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCc1nc(Cl)c(CC(=O)OC)n1Cc2ccc(NC(=O)c3ccc(NS(=O)(=O)C(F)(F)F)cc3)cc2
chemicalCompound:molecularF...	C25 H26 Cl F3 N4 O5 S
chemicalCompound:moleculeId	34815
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...	3.461
chemicalCompound:acdLogP	4.825
chemicalCompound:acdLogD	2.829
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	587.011
chemicalCompound:acdMostBpk...	4.101
chemicalCompound:chemblId	CHEMBL283431
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134815
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:647981