422708

Source:http://linkedlifedata.com/resource/chembl/compound/422708

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:681725
chemicalCompound:standardIn...	InChI=1S/C32H33F3N2O6S.Na/c1-19(2)30-32(44(42,43)36-25-13-11-24(35)12-14-25)29(20-3-7-22(33)8-4-20)31(21-5-9-23(34)10-6-21)37(30)16-15-26(38)17-27(39)18-28(40)41;/h3-14,19,26-27,36,38-39H,15-18H2,1-2H3,(H,40,41);/q;+1/p-1/t26-,27-;/m1./s1
chemicalCompound:standardIn...	KUBLAWXKXKQMHY-CNZCJKERSA-M
chemicalCompound:canonicalS...	[Na+].CC(C)c1c(c(c2ccc(F)cc2)c(c3ccc(F)cc3)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-])S(=O)(=O)Nc4ccc(F)cc4
chemicalCompound:molecularF...	C32 H32 F3 N2 O6 S . Na
chemicalCompound:moleculeId	422708
chemicalCompound:mwFreebase	630.674
chemicalCompound:alogp	5.67
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	137.23
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.284
chemicalCompound:acdLogP	3.697
chemicalCompound:acdLogD	0.455
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	652.656
chemicalCompound:chemblId	CHEMBL437795
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:522708
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:2075435, activity:2075456, activity:2075477, activity:2075498, activity:2075518