2840

Source:http://linkedlifedata.com/resource/chembl/compound/2840

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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:4399
chemicalCompound:synonym	synonym:2840_FPL-55712_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C27H30O9.Na/c1-4-6-19-22(10-8-17(15(3)28)25(19)31)34-13-16(29)14-35-23-11-9-18-21(30)12-24(27(32)33)36-26(18)20(23)7-5-2;/h8-12,16,29,31H,4-7,13-14H2,1-3H3,(H,32,33);/q;+1/p-1
chemicalCompound:standardIn...	ZDEVPOBNLIVGFA-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[Na+].CCCc1c(O)c(ccc1OCC(O)COc2ccc3C(=O)C=C(Oc3c2CCC)C(=O)[O-])C(=O)C
chemicalCompound:molecularF...	C27 H29 O9 . Na
chemicalCompound:moleculeId	2840
chemicalCompound:mwFreebase	498.522
chemicalCompound:alogp	4.648
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	139.59
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.339
chemicalCompound:acdLogP	5.222
chemicalCompound:acdLogD	1.493
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	520.504
chemicalCompound:chemblId	CHEMBL267976
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:102840
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	FPL-55712 SODIUM SALT
chemicalCompound:activity	activity:299643, activity:299644, activity:299645, activity:299646, activity:299647, activity:299648, activity:310942, activity:492925, activity:492926, activity:761167, activity:761168, activity:945408, activity:945409, activity:945410, activity:945411, activity:945412, activity:947974, activity:947975, activity:947976, activity:947977, activity:1113971