497048

Source:http://linkedlifedata.com/resource/chembl/compound/497048

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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/C25H28F3N3O5S2/c1-17(25(26,27)28)10-11-24(33)30-21(13-19-7-4-3-5-8-19)22(32)16-31(15-20-9-6-12-37-20)38(34,35)23-14-29-36-18(23)2/h3-12,14,17,21-22,32H,13,15-16H2,1-2H3,(H,30,33)/b11-10+/t17?,21-,22+/m0/s1
chemicalCompound:standardIn...	KTDNECSLVIQSBT-WSZJPGMQSA-N
chemicalCompound:canonicalS...	CC(\C=C\C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc2cccs2)S(=O)(=O)c3cnoc3C)C(F)(F)F
chemicalCompound:molecularF...	C25H28F3N3O5S2
chemicalCompound:moleculeId	497048
chemicalCompound:mwFreebase	571.632
chemicalCompound:alogp	3.648
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	149.36
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.296
chemicalCompound:acdLogP	2.049
chemicalCompound:acdLogD	2.049
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	571.632
chemicalCompound:chemblId	CHEMBL515498
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:597048
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:2496873, activity:2497002