425122

Source:http://linkedlifedata.com/resource/chembl/compound/425122

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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/C15H22O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,9-10,12-13H,4,6-8H2,1-3H3/t12-,13-,15+/m0/s1
chemicalCompound:standardIn...	AZJUJOFIHHNCSV-KCQAQPDRSA-N
chemicalCompound:canonicalS...	CC1(C)CCC[C@@]2(C)[C@H]1CC=C(C=O)[C@@H]2C=O
chemicalCompound:molecularF...	C15H22O2
chemicalCompound:moleculeId	425122
chemicalCompound:mwFreebase	234.334
chemicalCompound:alogp	2.819
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	34.14
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.522
chemicalCompound:acdLogD	3.522
chemicalCompound:fullMwt	234.334
chemicalCompound:chemblId	CHEMBL254550
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:525122
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	POLYGODIAL
chemicalCompound:activity	activity:288633, activity:288634, activity:288635, activity:288636, activity:288637, activity:288638, activity:288639, activity:2152111, activity:2175448, activity:2175449, activity:2175450, activity:2175451, activity:2175452, activity:2175453, activity:2175454, activity:2175455, activity:2175456, activity:2175457, activity:2175458, activity:2175459, activity:2175460, activity:2175461, activity:2175462, activity:2175463, activity:2175464, activity:2175465, activity:2175497, activity:2175498, activity:2175499, activity:2175500, activity:2175501, activity:2175502, activity:2175503, activity:2175504, activity:2175505, activity:2175506, activity:2175507, activity:2175508, activity:2175509, activity:2175510, activity:2175511, activity:2175512, activity:2175513, activity:2310296, activity:2310297, activity:2310298, activity:2437891, activity:2440087, activity:2440091, activity:2440092, activity:2440126, activity:2531379, activity:2531387, activity:2531393, activity:2531398, activity:2531404, activity:2531410, activity:2531416, activity:2531422, activity:2531438, activity:2531454, activity:2531470, activity:2531486, activity:2531502, activity:2531518, activity:2531534, activity:2542947, activity:2542948