688256

Source:http://linkedlifedata.com/resource/chembl/compound/688256

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C14H18N2O5/c15-10(14(20)21)8-12(17)16-11(6-7-13(18)19)9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)/t10-,11-/m0/s1
chemicalCompound:standardIn...	GDHFQYOUKZSFKV-QWRGUYRKSA-N
chemicalCompound:canonicalS...	N[C@@H](CC(=O)N[C@@H](CCC(=O)O)c1ccccc1)C(=O)O
chemicalCompound:molecularF...	C14H18N2O5
chemicalCompound:moleculeId	688256
chemicalCompound:mwFreebase	294.303
chemicalCompound:alogp	-2.539
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	129.71
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.441
chemicalCompound:acdLogP	0.258
chemicalCompound:acdLogD	-3.314
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	294.303
chemicalCompound:acdMostBpk...	8.31
chemicalCompound:chemblId	CHEMBL1221826
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:788256
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:3420841, activity:3420842, activity:3420844, activity:3420845, activity:3420850, activity:3420949