9400

Source:http://linkedlifedata.com/resource/chembl/compound/9400

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:9400_Alanine_OTHER
chemicalCompound:standardIn...	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
chemicalCompound:standardIn...	QNAYBMKLOCPYGJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(N)C(=O)O
chemicalCompound:molecularF...	C3 H7 N O2
chemicalCompound:moleculeId	9400
chemicalCompound:mwFreebase	89.0932
chemicalCompound:alogp	-3.161
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	63.31
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.308
chemicalCompound:acdLogP	-0.574
chemicalCompound:acdLogD	-3.076
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	89.0932
chemicalCompound:acdMostBpk...	9.614
chemicalCompound:chemblId	CHEMBL12198
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:109400
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	ALANINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:16449
chemicalCompound:activity	activity:81066, activity:254402, activity:254403, activity:287196, activity:954689, activity:3069157