17840

Source:http://linkedlifedata.com/resource/chembl/compound/17840

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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/C22H30O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-17,19,23,25,27H,4-5,8,10-11H2,1-3H3/t12-,15?,16?,17?,19?,20?,21?,22+/m1/s1
chemicalCompound:standardIn...	WNYLPFCKNQAAMB-LHLLGHKSSA-N
chemicalCompound:canonicalS...	C[C@@H]1CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC2(C)[C@@]1(O)C(=O)CO
chemicalCompound:molecularF...	C22 H30 O5
chemicalCompound:moleculeId	17840
chemicalCompound:mwFreebase	374.471
chemicalCompound:alogp	1.579
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	94.83
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.484
chemicalCompound:acdLogP	2.17
chemicalCompound:acdLogD	2.17
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	374.471
chemicalCompound:chemblId	CHEMBL16318
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:117840
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:460400, activity:460401, activity:460402, activity:460403, activity:460404, activity:460405, activity:460406, activity:460407, activity:460408, activity:460409, activity:607416