236087

Source:http://linkedlifedata.com/resource/chembl/compound/236087

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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:681597
chemicalCompound:standardIn...	InChI=1S/C32H61NO22S2.2Na/c1-4-5-6-7-8-9-10-49-29-23(33-21(3)38)28(55-30-26(41)25(40)24(39)20(2)53-30)27(50-17-32(14-36,15-37)19-52-57(45,46)47)22(54-29)11-48-16-31(12-34,13-35)18-51-56(42,43)44;;/h20,22-30,34-37,39-41H,4-19H2,1-3H3,(H,33,38)(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2
chemicalCompound:standardIn...	HIFUIRSADRTODM-UHFFFAOYSA-L
chemicalCompound:canonicalS...	[Na+].[Na+].CCCCCCCCOC1OC(COCC(CO)(CO)COS(=O)(=O)[O-])C(OCC(CO)(CO)COS(=O)(=O)[O-])C(OC2OC(C)C(O)C(O)C2O)C1NC(=O)C
chemicalCompound:molecularF...	C32 H59 N O22 S2 . 2 Na
chemicalCompound:moleculeId	236087
chemicalCompound:mwFreebase	875.95
chemicalCompound:alogp	-3.295
chemicalCompound:hba	22
chemicalCompound:hbd	10
chemicalCompound:psa	370.05
chemicalCompound:rtb	28
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-3.649
chemicalCompound:acdLogP	-1.173
chemicalCompound:acdLogD	-5.672
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	919.914
chemicalCompound:chemblId	CHEMBL423193
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:336087
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:1247205, activity:1247206, activity:1247207, activity:1247208