1169765

Source:http://linkedlifedata.com/resource/chembl/compound/1169765

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1192364
chemicalCompound:standardIn...	InChI=1S/C21H22O4.Na/c1-13(21(24)25)15-5-6-16(11-17-3-2-4-20(17)23)19(12-15)14-7-9-18(22)10-8-14;/h5-10,12-13,17,22H,2-4,11H2,1H3,(H,24,25);/q;+1/p-1
chemicalCompound:standardIn...	IVNGZVKWHVBMAK-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[Na+].CC(C(=O)[O-])c1ccc(CC2CCCC2=O)c(c1)c3ccc(O)cc3
chemicalCompound:molecularF...	C21H21NaO4
chemicalCompound:moleculeId	1169765
chemicalCompound:mwFreebase	338.397
chemicalCompound:alogp	4.212
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	74.59
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.363
chemicalCompound:acdLogP	2.968
chemicalCompound:acdLogD	-0.006
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	360.379
chemicalCompound:chemblId	CHEMBL1814719
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1269765
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:6310183, activity:6310248