321350

Source:http://linkedlifedata.com/resource/chembl/compound/321350

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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/C24H32O5/c25-21(20-14-19(20)16-8-4-3-5-9-16)13-12-18-17(22(26)15-23(18)27)10-6-1-2-7-11-24(28)29/h1,3-6,8-9,12-13,17-23,25-27H,2,7,10-11,14-15H2,(H,28,29)/b6-1+,13-12+/t17-,18-,19?,20?,21-,22+,23-/m1/s1
chemicalCompound:standardIn...	TWPIZVLGQYMQFH-BZEAIPHXSA-N
chemicalCompound:canonicalS...	O[C@H](\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC(=O)O)C2CC2c3ccccc3
chemicalCompound:molecularF...	C24 H32 O5
chemicalCompound:moleculeId	321350
chemicalCompound:mwFreebase	400.508
chemicalCompound:alogp	2.846
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	97.99
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.762
chemicalCompound:acdLogP	2.61
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	400.508
chemicalCompound:chemblId	CHEMBL372038
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:421350
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:1506567