622

Source:http://linkedlifedata.com/resource/chembl/compound/622

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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/C23H36O5/c1-23(27,15-13-17-11-12-17)14-7-9-19-18(20(24)16-21(19)25)8-5-3-4-6-10-22(26)28-2/h3-4,7,9,17-19,21,25,27H,5-6,8,10-16H2,1-2H3/b4-3-,9-7+/t18-,19-,21-,23?/m1/s1
chemicalCompound:standardIn...	LYAISQMHPNUUNI-KRJYFAAISA-N
chemicalCompound:canonicalS...	COC(=O)CC\C=C/CC[C@@H]1[C@@H](\C=C\CC(C)(O)CCC2CC2)[C@H](O)CC1=O
chemicalCompound:molecularF...	C23 H36 O5
chemicalCompound:moleculeId	622
chemicalCompound:mwFreebase	392.529
chemicalCompound:alogp	3.375
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	83.83
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.895
chemicalCompound:acdLogP	3.17
chemicalCompound:acdLogD	3.17
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	392.529
chemicalCompound:chemblId	CHEMBL267190
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100622
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:200534, activity:200535, activity:326933, activity:326934