466684

Source:http://linkedlifedata.com/resource/chembl/compound/466684

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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/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m1/s1
chemicalCompound:standardIn...	CQIUKKVOEOPUDV-IYSWYEEDSA-N
chemicalCompound:canonicalS...	C[C@H]1OC=C2C(=C(C(=O)O)C(=O)C(=C2[C@@H]1C)C)O
chemicalCompound:molecularF...	C13H14O5
chemicalCompound:moleculeId	466684
chemicalCompound:mwFreebase	250.247
chemicalCompound:alogp	0.928
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	83.83
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	1.524
chemicalCompound:acdLogP	4.543
chemicalCompound:acdLogD	-0.194
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	250.247
chemicalCompound:chemblId	CHEMBL510139
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:566684
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	CITRININ
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:48707
chemicalCompound:activity	activity:2181336, activity:2181345, activity:2181354, activity:2181362, activity:2181372, activity:2181380, activity:2212667, activity:2429349, activity:2545973, activity:4064866, activity:4599911, activity:6204575, activity:6347368, activity:6347384, activity:6347400, activity:6446872, activity:7699502, activity:7699503, activity:7699504, activity:7699505, activity:7699506, activity:7699507, activity:7699508, activity:7699509, activity:7699510, activity:7699511, activity:7699512, activity:7699513, activity:7699514, activity:7699515, activity:7699516, activity:7699517, activity:7699518, activity:7699519, activity:7699520, activity:7701542, activity:7701543, activity:7701544, activity:7701545, activity:7701546, activity:7701547, activity:7701548, activity:7701549, activity:7701550, activity:7701551, activity:7701552, activity:7701553, activity:7701554, activity:7701555, activity:7701556, activity:7701557, activity:7701558, activity:7701559, activity:7701560, activity:7701561, activity:7701562, activity:7701563, activity:7701564, activity:7701565, activity:7701566, activity:7701567, activity:7701568, activity:7701569, activity:7701570, activity:7701571