257801

Source:http://linkedlifedata.com/resource/chembl/compound/257801

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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/C30H42O7/c1-19-12-13-34-23(15-19)10-11-25(31)27-18-28-30(37-28)26(32)17-21(3)14-20(2)16-24-8-4-6-22(35-24)7-5-9-29(33)36-27/h4-6,9-12,20,22-28,30-32H,3,7-8,13-18H2,1-2H3/b9-5-,11-10+/t20-,22-,23+,24-,25-,26+,27-,28+,30+/m0/s1
chemicalCompound:standardIn...	MSBQEQDLFWWWMV-MOCKHXPPSA-N
chemicalCompound:canonicalS...	C[C@@H]1C[C@@H]2CC=C[C@@H](C\C=C/C(=O)O[C@@H](C[C@H]3O[C@@H]3[C@H](O)CC(=C)C1)[C@@H](O)\C=C\[C@@H]4CC(=CCO4)C)O2
chemicalCompound:molecularF...	C30 H42 O7
chemicalCompound:moleculeId	257801
chemicalCompound:mwFreebase	514.65
chemicalCompound:alogp	3.796
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	97.75
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.937
chemicalCompound:acdLogP	2.194
chemicalCompound:acdLogD	2.194
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	514.65
chemicalCompound:chemblId	CHEMBL351803
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:357801
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:1095065, activity:1095066