64576

Source:http://linkedlifedata.com/resource/chembl/compound/64576

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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/C5H9NO3/c1-9-3-2-4(6)5(7)8/h2-4H,6H2,1H3,(H,7,8)/b3-2-/t4-/m0/s1
chemicalCompound:standardIn...	HLOPMQJRUIOMJO-SWOZAWMQSA-N
chemicalCompound:canonicalS...	CO\C=C/[C@H](N)C(=O)O
chemicalCompound:molecularF...	C5H9NO3
chemicalCompound:moleculeId	64576
chemicalCompound:mwFreebase	131.13
chemicalCompound:alogp	-3.519
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	72.55
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	1.59
chemicalCompound:acdLogP	-0.652
chemicalCompound:acdLogD	-3.197
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	131.13
chemicalCompound:acdMostBpk...	8.52
chemicalCompound:chemblId	CHEMBL295971
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:164576
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:40719
chemicalCompound:activity	activity:202349