1169768

Source:http://linkedlifedata.com/resource/chembl/compound/1169768

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1192653
chemicalCompound:standardIn...	InChI=1S/C22H24O4.Na/c1-14(22(24)25)19-11-6-15(12-17-4-3-5-21(17)23)13-20(19)16-7-9-18(26-2)10-8-16;/h6-11,13-14,17H,3-5,12H2,1-2H3,(H,24,25);/q;+1/p-1
chemicalCompound:standardIn...	RLFHLBYJXUUDSI-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[Na+].COc1ccc(cc1)c2cc(CC3CCCC3=O)ccc2C(C)C(=O)[O-]
chemicalCompound:molecularF...	C22H23NaO4
chemicalCompound:moleculeId	1169768
chemicalCompound:mwFreebase	352.424
chemicalCompound:alogp	4.438
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	63.59
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.336
chemicalCompound:acdLogP	3.42
chemicalCompound:acdLogD	0.437
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	374.405
chemicalCompound:chemblId	CHEMBL1814722
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1269768
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:6310186, activity:6310207, activity:6310226, activity:6310242