497098

Source:http://linkedlifedata.com/resource/chembl/compound/497098

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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/C26H25F3N2O5S2/c1-17(32)9-10-26(34)30-23(12-18-6-3-2-4-7-18)24(33)16-31(15-19-8-5-11-37-19)38(35,36)25-14-21(28)20(27)13-22(25)29/h2-11,13-14,23-24,33H,12,15-16H2,1H3,(H,30,34)/b10-9+/t23-,24+/m0/s1
chemicalCompound:standardIn...	JAQRLOOSROXDNA-ZRJFSKGGSA-N
chemicalCompound:canonicalS...	CC(=O)\C=C\C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc2cccs2)S(=O)(=O)c3cc(F)c(F)cc3F
chemicalCompound:molecularF...	C26H25F3N2O5S2
chemicalCompound:moleculeId	497098
chemicalCompound:mwFreebase	566.612
chemicalCompound:alogp	3.846
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	140.4
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.891
chemicalCompound:acdLogP	3.349
chemicalCompound:acdLogD	3.349
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	566.612
chemicalCompound:chemblId	CHEMBL475964
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:597098
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:2496882, activity:2496989