598286

Source:http://linkedlifedata.com/resource/chembl/compound/598286

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:598286_3R14S-OCHRATOXIN A_TRADE_NAME, synonym:598286_OCHRATOXIN A_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1
chemicalCompound:standardIn...	RWQKHEORZBHNRI-BMIGLBTASA-N
chemicalCompound:canonicalS...	C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1
chemicalCompound:molecularF...	C20H18ClNO6
chemicalCompound:moleculeId	598286
chemicalCompound:mwFreebase	403.813
chemicalCompound:alogp	3.289
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	112.93
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.285
chemicalCompound:acdLogP	4.37
chemicalCompound:acdLogD	0.605
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	403.813
chemicalCompound:chemblId	CHEMBL589366
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:698286
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	3R14S-OCHRATOXIN A
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:7719
chemicalCompound:activity	activity:2182622, activity:2182623, activity:2182677, activity:2182731, activity:2182735, activity:2202400, activity:2202401, activity:3133832, activity:3133836, activity:3133840, activity:3133844, activity:4006842, activity:4101691, activity:4189555, activity:4403939, activity:4411096, activity:4488135, activity:4773056, activity:4857076, activity:4995922, activity:5330940, activity:6149121, activity:6471563, activity:6562479, activity:6584705, activity:6742940, activity:6754270, activity:6958458, activity:6962316, activity:7026228, activity:7050835, activity:7052370, activity:7062976, activity:7227861, activity:7446303, activity:7458083, activity:7464443, activity:7475624