257001

Source:http://linkedlifedata.com/resource/chembl/compound/257001

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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/C30H42O6/c1-21-15-16-34-26(19-21)13-14-28(32)29-11-4-7-24(31)18-22(2)17-23(3)20-27-10-5-8-25(35-27)9-6-12-30(33)36-29/h4-8,12-15,23-29,31-32H,2,9-11,16-20H2,1,3H3/b7-4+,12-6+,14-13+/t23-,24+,25-,26+,27-,28-,29-/m0/s1
chemicalCompound:standardIn...	ZKIKAHJTOCTYNQ-SIGZJIRLSA-N
chemicalCompound:canonicalS...	C[C@@H]1C[C@@H]2CC=C[C@@H](C\C=C\C(=O)O[C@@H](C\C=C\[C@@H](O)CC(=C)C1)[C@@H](O)\C=C\[C@@H]3CC(=CCO3)C)O2
chemicalCompound:molecularF...	C30 H42 O6
chemicalCompound:moleculeId	257001
chemicalCompound:mwFreebase	498.651
chemicalCompound:alogp	4.777
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	85.22
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.937
chemicalCompound:acdLogP	2.678
chemicalCompound:acdLogD	2.678
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	498.651
chemicalCompound:chemblId	CHEMBL154035
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:357001
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:1071224, activity:1071225