288723

Source:http://linkedlifedata.com/resource/chembl/compound/288723

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:288723_WY-236_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C27H40O4/c1-18(7-5-13-26(3,31)17-28)23-11-12-24-20(8-6-14-27(23,24)4)9-10-21-15-22(29)16-25(30)19(21)2/h9-10,18,22-25,28-31H,2,6-8,11-12,14-17H2,1,3-4H3/b20-9-,21-10+/t18-,22-,23-,24+,25+,26-,27-/m1/s1
chemicalCompound:standardIn...	OJFUMWHADUBGMC-FUITXQDGSA-N
chemicalCompound:canonicalS...	C[C@H](CC#C[C@@](C)(O)CO)[C@H]1CC[C@H]2\C(=C/C=C/3\C[C@@H](O)C[C@H](O)C3=C)\CCC[C@]12C
chemicalCompound:molecularF...	C27 H40 O4
chemicalCompound:moleculeId	288723
chemicalCompound:mwFreebase	428.604
chemicalCompound:alogp	4.103
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	80.92
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.309
chemicalCompound:acdLogP	4.853
chemicalCompound:acdLogD	4.853
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	428.604
chemicalCompound:chemblId	CHEMBL172771
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:388723
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:1223420, activity:1223421, activity:1223422, activity:1223423, activity:1223424