456075

Source:http://linkedlifedata.com/resource/chembl/compound/456075

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15+/m1/s1
chemicalCompound:standardIn...	WYZWZEOGROVVHK-HBUVGVEXSA-N
chemicalCompound:canonicalS...	C[C@@H]1C[C@@H]2O[C@@H]2\C=C/C=C/C(=O)Cc3c(Cl)c(O)cc(O)c3C(=O)O1
chemicalCompound:molecularF...	C18H17ClO6
chemicalCompound:moleculeId	456075
chemicalCompound:mwFreebase	364.777
chemicalCompound:alogp	2.65
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	96.35
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.29
chemicalCompound:acdLogP	3.312
chemicalCompound:acdLogD	2.012
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	364.777
chemicalCompound:chemblId	CHEMBL453386
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:556075
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	RADICICOL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:556075
chemicalCompound:activity	activity:44602, activity:44603, activity:111163, activity:779431, activity:779432, activity:779433, activity:779434, activity:779435, activity:1487912, activity:1487913, activity:1487914, activity:1656533, activity:1656543, activity:1750067, activity:1827801, activity:1827802, activity:1827803, activity:1827804, activity:2062338, activity:2063785, activity:2080108, activity:2080116, activity:2080135, activity:2080137, activity:2080144, activity:2080151, activity:2080158, activity:2080170, activity:2136775, activity:2136776, activity:2324518, activity:2348919, activity:2348920, activity:2393025, activity:2393716, activity:2393723, activity:2393730, activity:2393737, activity:2393744, activity:2393751, activity:2393758, activity:2393765, activity:2393772, activity:2393779, activity:2393786, activity:2393793, activity:2393800, activity:2393807, activity:2393814, activity:2393821, activity:2393828, activity:2393842, activity:2393856, activity:2393870, activity:2393884, activity:2393898, activity:2393918, activity:2393919, activity:2429343, activity:2429392, activity:2429393, activity:2429394, activity:2437997, activity:2438020, activity:2438024