846455

Source:http://linkedlifedata.com/resource/chembl/compound/846455

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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/C15H13FN2O4S/c1-9-11(16)3-2-4-12(9)18-23(20,21)10-5-6-14-13(7-10)17-15(19)8-22-14/h2-7,18H,8H2,1H3,(H,17,19)
chemicalCompound:standardIn...	ARJXKQPTSADKFD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1c(F)cccc1NS(=O)(=O)c2ccc3OCC(=O)Nc3c2
chemicalCompound:molecularF...	C15H13FN2O4S
chemicalCompound:moleculeId	846455
chemicalCompound:mwFreebase	336.338
chemicalCompound:alogp	1.799
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	92.88
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.015
chemicalCompound:acdLogP	1.654
chemicalCompound:acdLogD	1.118
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	336.338
chemicalCompound:acdMostBpk...	0.459
chemicalCompound:chemblId	CHEMBL1422571
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:946455
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:4079096, activity:4214514, activity:4581810, activity:4725544, activity:4825318, activity:6531838, activity:6740324, activity:7122036, activity:7361555, activity:7465601