170044

Source:http://linkedlifedata.com/resource/chembl/compound/170044

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1
chemicalCompound:standardIn...	DWRXFEITVBNRMK-JAGXHNFQSA-N
chemicalCompound:canonicalS...	CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)C(=O)NC1=O
chemicalCompound:molecularF...	C10H14N2O6
chemicalCompound:moleculeId	170044
chemicalCompound:mwFreebase	258.228
chemicalCompound:alogp	-2.005
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	119.32
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.551
chemicalCompound:acdLogP	-1.166
chemicalCompound:acdLogD	-1.169
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	258.228
chemicalCompound:chemblId	CHEMBL103283
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:270044
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:87305, activity:156808, activity:156809, activity:156810, activity:156811, activity:156812, activity:156813, activity:176321, activity:176322, activity:176323, activity:196045, activity:196046, activity:196047, activity:226959, activity:226960, activity:226961, activity:603389, activity:603390, activity:1071638, activity:1071639, activity:1071640, activity:1071641, activity:1071642, activity:1799409, activity:1799426, activity:1799427, activity:1799428, activity:1799430, activity:1799432, activity:1799433, activity:1834820, activity:2024104, activity:2024132, activity:2024160, activity:2024188, activity:2024216, activity:2588806, activity:2588852