1122921

Source:http://linkedlifedata.com/resource/chembl/compound/1122921

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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:3603
chemicalCompound:standardIn...	InChI=1S/C20H27NO4S.Na/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17;/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23);/q;+1/p-1/b6-1-;/t15?,16-,18-,20-;/m0./s1
chemicalCompound:standardIn...	AXQQPGSIAMTSKK-AGLFCOPPSA-M
chemicalCompound:canonicalS...	[Na+].[O-]C(=O)CCC\C=C/C[C@H]1C2CC[C@@H](C2)[C@@H]1NS(=O)(=O)c3ccccc3
chemicalCompound:molecularF...	C20H26NNaO4S
chemicalCompound:moleculeId	1122921
chemicalCompound:mwFreebase	377.498
chemicalCompound:alogp	3.676
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	91.85
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.762
chemicalCompound:acdLogP	3.88
chemicalCompound:acdLogD	1.271
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	399.479
chemicalCompound:chemblId	CHEMBL1744350
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222921
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:1002670, activity:1002671, activity:1002672