332572

Source:http://linkedlifedata.com/resource/chembl/compound/332572

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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/C25H21FN2O5S/c26-18-8-6-17(7-9-18)15-27-23-11-10-21(14-22(23)24(29)25(27)30)34(31,32)28-13-12-19(28)16-33-20-4-2-1-3-5-20/h1-11,14,19H,12-13,15-16H2/t19-/m0/s1
chemicalCompound:standardIn...	QCKJEQIYOITZDI-IBGZPJMESA-N
chemicalCompound:canonicalS...	Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N4CC[C@H]4COc5ccccc5)cc1
chemicalCompound:molecularF...	C25 H21 F N2 O5 S
chemicalCompound:moleculeId	332572
chemicalCompound:mwFreebase	480.508
chemicalCompound:alogp	3.324
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	92.37
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.702
chemicalCompound:acdLogD	3.702
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	480.508
chemicalCompound:chemblId	CHEMBL200886
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:432572
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:1654014, activity:1656571, activity:1656598, activity:1656625, activity:1656652