1150550

Source:http://linkedlifedata.com/resource/chembl/compound/1150550

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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:221223
chemicalCompound:standardIn...	InChI=1S/C10H14N2.C6H10O8/c1-11-7-3-2-5-10-6-4-8-12-9-10;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h2,4-6,8-9,11H,3,7H2,1H3;1-4,7-10H,(H,11,12)(H,13,14)/b5-2+;/t;1-,2+,3+,4-
chemicalCompound:standardIn...	CXHBEUKBZCMSIP-DKVWOUKWSA-N
chemicalCompound:canonicalS...	CNCC\C=C\c1cccnc1.O[C@H]([C@H](O)[C@@H](O)C(=O)O)[C@H](O)C(=O)O
chemicalCompound:molecularF...	C16H24N2O8
chemicalCompound:moleculeId	1150550
chemicalCompound:mwFreebase	162.232
chemicalCompound:alogp	1.006
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	24.92
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.05
chemicalCompound:acdLogD	-1.464
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	372.37
chemicalCompound:acdMostBpk...	10.026
chemicalCompound:chemblId	CHEMBL1783879
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1250550
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:6227845, activity:6227857, activity:6227869, activity:6227881, activity:6227891, activity:6227903, activity:6227913, activity:6227929, activity:6227941, activity:6227953