1240974

Source:http://linkedlifedata.com/resource/chembl/compound/1240974

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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:11265
chemicalCompound:standardIn...	InChI=1S/C15H26N2.H2O4S.H2O/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;1-5(2,3)4;/h12-15H,1-11H2;(H2,1,2,3,4);1H2/t12-,13-,14-,15+;;/m1../s1
chemicalCompound:standardIn...	SVHRKOXNUMMKNA-NFFOJHPUSA-N
chemicalCompound:canonicalS...	O.OS(=O)(=O)O.C1CCN2C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]2C1
chemicalCompound:molecularF...	C15H30N2O5S
chemicalCompound:moleculeId	1240974
chemicalCompound:mwFreebase	234.38
chemicalCompound:alogp	2.363
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	6.48
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.837
chemicalCompound:acdLogD	-0.022
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	350.474
chemicalCompound:acdMostBpk...	10.082
chemicalCompound:chemblId	CHEMBL1900403
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1340974
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:6802979