422679

Source:http://linkedlifedata.com/resource/chembl/compound/422679

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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:680314
chemicalCompound:standardIn...	InChI=1S/C33H35F2N3O7S.Na/c1-19(2)30-32(46(44,45)37-25-5-3-4-22(16-25)33(36)43)29(20-6-10-23(34)11-7-20)31(21-8-12-24(35)13-9-21)38(30)15-14-26(39)17-27(40)18-28(41)42;/h3-13,16,19,26-27,37,39-40H,14-15,17-18H2,1-2H3,(H2,36,43)(H,41,42);/q;+1/p-1/t26-,27-;/m1./s1
chemicalCompound:standardIn...	AITZBZFYWFITNO-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)Nc4cccc(c4)C(=O)N
chemicalCompound:molecularF...	C33 H34 F2 N3 O7 S . Na
chemicalCompound:moleculeId	422679
chemicalCompound:mwFreebase	655.709
chemicalCompound:alogp	4.466
chemicalCompound:hba	7
chemicalCompound:hbd	5
chemicalCompound:psa	180.33
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.284
chemicalCompound:acdLogP	2.458
chemicalCompound:acdLogD	-0.813
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	677.691
chemicalCompound:chemblId	CHEMBL265899
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:522679
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:2075450, activity:2075471, activity:2075492, activity:2075513, activity:2075532