464293

Source:http://linkedlifedata.com/resource/chembl/compound/464293

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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:464293_SCH-642305_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C14H20O4/c1-9-4-2-3-5-10-11(8-14(17)18-9)13(16)7-6-12(10)15/h6-7,9-11,13,16H,2-5,8H2,1H3/t9-,10+,11+,13-/m0/s1
chemicalCompound:standardIn...	WTQWDNIIFGEBSZ-WGBDABJCSA-N
chemicalCompound:canonicalS...	C[C@H]1CCCC[C@@H]2[C@@H](CC(=O)O1)[C@@H](O)C=CC2=O
chemicalCompound:molecularF...	C14H20O4
chemicalCompound:moleculeId	464293
chemicalCompound:mwFreebase	252.306
chemicalCompound:alogp	1.709
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	63.59
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.109
chemicalCompound:acdLogP	0.696
chemicalCompound:acdLogD	0.696
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	252.306
chemicalCompound:chemblId	CHEMBL453428
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:564293
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:2428952, activity:2428953, activity:6149141, activity:6149145, activity:6149149, activity:6149153, activity:6149157