1021282

Source:http://linkedlifedata.com/resource/chembl/compound/1021282

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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/C23H15F3N2O3S/c24-23(25,26)16-9-3-4-10-17(16)27-20(29)13-31-22(30)15-8-2-1-7-14(15)21-28-18-11-5-6-12-19(18)32-21/h1-12H,13H2,(H,27,29)
chemicalCompound:standardIn...	JUCAYJVFOOQLCB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	FC(F)(F)c1ccccc1NC(=O)COC(=O)c2ccccc2c3nc4ccccc4s3
chemicalCompound:molecularF...	C23H15F3N2O3S
chemicalCompound:moleculeId	1021282
chemicalCompound:mwFreebase	456.437
chemicalCompound:alogp	5.273
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	96.53
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.734
chemicalCompound:acdLogP	4.612
chemicalCompound:acdLogD	4.612
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	456.437
chemicalCompound:acdMostBpk...	0.358
chemicalCompound:chemblId	CHEMBL1597398
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1121282
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:3731370, activity:3797483, activity:4798579, activity:4924708, activity:5593386, activity:5909835, activity:6675362, activity:7487637