422693

Source:http://linkedlifedata.com/resource/chembl/compound/422693

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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:680189
chemicalCompound:standardIn...	InChI=1S/C28H34F2N2O6S.Na/c1-17(2)26-28(39(37,38)31(3)4)25(18-5-9-20(29)10-6-18)27(19-7-11-21(30)12-8-19)32(26)14-13-22(33)15-23(34)16-24(35)36;/h5-12,17,22-23,33-34H,13-16H2,1-4H3,(H,35,36);/q;+1/p-1/t22-,23-;/m1./s1
chemicalCompound:standardIn...	DJWHFIFOFQASPX-OHIDFYLOSA-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)N(C)C
chemicalCompound:molecularF...	C28 H33 F2 N2 O6 S . Na
chemicalCompound:moleculeId	422693
chemicalCompound:mwFreebase	564.641
chemicalCompound:alogp	4.093
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	128.44
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.285
chemicalCompound:acdLogP	2.106
chemicalCompound:acdLogD	-0.998
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	586.623
chemicalCompound:chemblId	CHEMBL253055
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:522693
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:2075443, activity:2075464, activity:2075485, activity:2075506, activity:2075564, activity:2075568