828416

Source:http://linkedlifedata.com/resource/chembl/compound/828416

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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:9379
chemicalCompound:standardIn...	InChI=1S/C5H9NO4.ClH/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H
chemicalCompound:standardIn...	RPAJSBKBKSSMLJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.NC(CCC(=O)O)C(=O)O
chemicalCompound:molecularF...	C5H10ClNO4
chemicalCompound:moleculeId	828416
chemicalCompound:mwFreebase	147.129
chemicalCompound:alogp	-3.459
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	100.61
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.174
chemicalCompound:acdLogP	-0.969
chemicalCompound:acdLogD	-4.466
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	183.59
chemicalCompound:acdMostBpk...	9.762
chemicalCompound:chemblId	CHEMBL1404532
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:928416
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:4373034, activity:5377347, activity:5813254, activity:6549691, activity:6631260, activity:6723736