96528

Source:http://linkedlifedata.com/resource/chembl/compound/96528

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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:96991
chemicalCompound:standardIn...	InChI=1S/C7H15Cl2N2O4P.C2H6O3S2.Na/c8-2-4-11(5-3-9)16(13)10-7(15-12)1-6-14-16;3-7(4,5)2-1-6;/h7,12H,1-6H2,(H,10,13);6H,1-2H2,(H,3,4,5);/q;;+1/p-1
chemicalCompound:standardIn...	COELOVMAJOGPDD-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[Na+].OOC1CCOP(=O)(N1)N(CCCl)CCCl.[O-]S(=O)(=O)CCS
chemicalCompound:molecularF...	C7 H15 Cl2 N2 O4 P . C2 H5 O3 S2 . Na
chemicalCompound:moleculeId	96528
chemicalCompound:mwFreebase	293.085
chemicalCompound:alogp	0.213
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	80.84
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.059
chemicalCompound:acdLogP	0.389
chemicalCompound:acdLogD	0.388
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	457.264
chemicalCompound:acdMostBpk...	1.259
chemicalCompound:chemblId	CHEMBL62729
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:196528
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:504431