65900

Source:http://linkedlifedata.com/resource/chembl/compound/65900

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:65900_Valine_OTHER
chemicalCompound:standardIn...	InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
chemicalCompound:standardIn...	KZSNJWFQEVHDMF-BYPYZUCNSA-N
chemicalCompound:canonicalS...	CC(C)[C@H](N)C(=O)O
chemicalCompound:molecularF...	C5H11NO2
chemicalCompound:moleculeId	65900
chemicalCompound:mwFreebase	117.146
chemicalCompound:alogp	-2.318
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	63.32
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.366
chemicalCompound:acdLogP	0.289
chemicalCompound:acdLogD	-2.211
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	117.146
chemicalCompound:acdMostBpk...	10.213
chemicalCompound:chemblId	CHEMBL43068
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:165900
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	VALINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:16414
chemicalCompound:activity	activity:96156, activity:259826, activity:259827, activity:983886, activity:1722229, activity:1722309, activity:1722388, activity:1722468, activity:2997992