422690

Source:http://linkedlifedata.com/resource/chembl/compound/422690

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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:681724
chemicalCompound:standardIn...	InChI=1S/C28H35FN2O6S.Na/c1-18(2)26-28(38(36,37)30(3)4)25(19-8-6-5-7-9-19)27(20-10-12-21(29)13-11-20)31(26)15-14-22(32)16-23(33)17-24(34)35;/h5-13,18,22-23,32-33H,14-17H2,1-4H3,(H,34,35);/q;+1/p-1/t22-,23-;/m1./s1
chemicalCompound:standardIn...	FVWZBBWAPPSBHO-OHIDFYLOSA-M
chemicalCompound:canonicalS...	[Na+].CC(C)c1c(c(c2ccccc2)c(c3ccc(F)cc3)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-])S(=O)(=O)N(C)C
chemicalCompound:molecularF...	C28 H34 F N2 O6 S . Na
chemicalCompound:moleculeId	422690
chemicalCompound:mwFreebase	546.651
chemicalCompound:alogp	3.888
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	2.173
chemicalCompound:acdLogD	-0.931
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	568.633
chemicalCompound:chemblId	CHEMBL437790
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:522690
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:2075445, activity:2075466, activity:2075487, activity:2075508, activity:2075527