641436

Source:http://linkedlifedata.com/resource/chembl/compound/641436

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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/C23H13F8NO8S2/c1-9-16-14(23(29,30)31)6-12(40-42(36,37)38)7-15(16)32(8-13-17(24)19(26)21(28)20(27)18(13)25)22(9)10-2-4-11(5-3-10)39-41(33,34)35/h2-7H,8H2,1H3,(H,33,34,35)(H,36,37,38)
chemicalCompound:standardIn...	HJYJIOSCEICCNV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1c(c2ccc(OS(=O)(=O)O)cc2)n(Cc3c(F)c(F)c(F)c(F)c3F)c4cc(OS(=O)(=O)O)cc(c14)C(F)(F)F
chemicalCompound:molecularF...	C23H13F8NO8S2
chemicalCompound:moleculeId	641436
chemicalCompound:mwFreebase	647.468
chemicalCompound:alogp	6.909
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	148.88
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-4.624
chemicalCompound:acdLogP	5.269
chemicalCompound:acdLogD	0.769
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	647.468
chemicalCompound:chemblId	CHEMBL1159897
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:741436
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:522896, activity:522897