504826

Source:http://linkedlifedata.com/resource/chembl/compound/504826

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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/C26H44O6/c1-14(13-27)5-6-15(2)16-11-18(29)23-24(16,3)10-8-20-25(4)9-7-17(28)22(31)21(25)19(30)12-26(20,23)32/h5-6,14-23,27-32H,7-13H2,1-4H3/b6-5+/t14?,15-,16-,17+,18-,19+,20-,21+,22+,23-,24-,25-,26+/m1/s1
chemicalCompound:standardIn...	SLZPIGPCASURLO-SCOCZYPQSA-N
chemicalCompound:canonicalS...	CC(CO)\C=C\[C@@H](C)[C@H]1C[C@@H](O)[C@@H]2[C@]1(C)CC[C@@H]3[C@@]4(C)CC[C@H](O)[C@H](O)[C@@H]4[C@@H](O)C[C@@]23O
chemicalCompound:molecularF...	C26H44O6
chemicalCompound:moleculeId	504826
chemicalCompound:mwFreebase	452.624
chemicalCompound:alogp	1
chemicalCompound:hba	6
chemicalCompound:hbd	6
chemicalCompound:psa	121.38
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.471
chemicalCompound:acdLogD	1.471
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	452.624
chemicalCompound:chemblId	CHEMBL513972
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:604826
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:2427180, activity:2427181, activity:2427182, activity:2427183, activity:2428180