688769

Source:http://linkedlifedata.com/resource/chembl/compound/688769

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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:188
chemicalCompound:standardIn...	InChI=1S/C4H9NO3.ClH/c1-8-4(7)3(5)2-6;/h3,6H,2,5H2,1H3;1H/t3-;/m0./s1
chemicalCompound:standardIn...	NDBQJIBNNUJNHA-DFWYDOINSA-N
chemicalCompound:canonicalS...	Cl.COC(=O)[C@@H](N)CO
chemicalCompound:molecularF...	C4H10ClNO3
chemicalCompound:moleculeId	688769
chemicalCompound:mwFreebase	119.119
chemicalCompound:alogp	-1.345
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	72.55
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.951
chemicalCompound:acdLogP	-1.461
chemicalCompound:acdLogD	-1.711
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	155.58
chemicalCompound:acdMostBpk...	6.393
chemicalCompound:chemblId	CHEMBL1222334
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:788769
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:3421295