223619

Source:http://linkedlifedata.com/resource/chembl/compound/223619

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:3963
chemicalCompound:standardIn...	InChI=1S/C9H9NO3.Na/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;/h1-5H,6H2,(H,10,13)(H,11,12);/q;+1/p-1
chemicalCompound:standardIn...	ZBCAZEFVTIBZJS-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[Na+].[O-]C(=O)CNC(=O)c1ccccc1
chemicalCompound:molecularF...	C9 H8 N O3 . Na
chemicalCompound:moleculeId	223619
chemicalCompound:mwFreebase	179.173
chemicalCompound:alogp	0.519
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	66.4
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.71
chemicalCompound:acdLogP	0.757
chemicalCompound:acdLogD	-2.714
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	201.154
chemicalCompound:chemblId	CHEMBL135276
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:323619
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:700614