700369

Source:http://linkedlifedata.com/resource/chembl/compound/700369

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:11674
chemicalCompound:standardIn...	InChI=1S/C13H18O2.Na/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);/q;+1/p-1
chemicalCompound:standardIn...	PTTPUWGBPLLBKW-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[Na+].CC(C)Cc1ccc(cc1)C(C)C(=O)[O-]
chemicalCompound:molecularF...	C13H17NaO2
chemicalCompound:moleculeId	700369
chemicalCompound:mwFreebase	206.281
chemicalCompound:alogp	3.607
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	37.29
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.411
chemicalCompound:acdLogP	3.502
chemicalCompound:acdLogD	0.582
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	228.263
chemicalCompound:chemblId	CHEMBL1241153
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:800369
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	IBUPROFEN SODIUM
chemicalCompound:activity	activity:3458191, activity:3458198