464404

Source:http://linkedlifedata.com/resource/chembl/compound/464404

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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/C36H58O8/c1-21(10-13-27(37)32(4,5)42)22-14-16-36(9)24-11-12-26-31(2,3)30(41)25(44-29(40)20-33(6,43)19-28(38)39)18-34(26,7)23(24)15-17-35(22,36)8/h21-22,25-27,37,42-43H,10-20H2,1-9H3,(H,38,39)/t21-,22-,25-,26+,27?,33?,34-,35-,36+/m1/s1
chemicalCompound:standardIn...	FNHDSKHVYPYDAZ-VCICWZRISA-N
chemicalCompound:canonicalS...	C[C@H](CCC(O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)C[C@@H](OC(=O)CC(C)(O)CC(=O)O)C(=O)C(C)(C)[C@@H]4CC3
chemicalCompound:molecularF...	C36H58O8
chemicalCompound:moleculeId	464404
chemicalCompound:mwFreebase	618.841
chemicalCompound:alogp	5.283
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	141.35
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.213
chemicalCompound:acdLogP	5.574
chemicalCompound:acdLogD	2.417
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	618.841
chemicalCompound:chemblId	CHEMBL452658
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:564404
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	CLAVARIC ACID
chemicalCompound:activity	activity:849000, activity:849001, activity:849002, activity:849003, activity:849004, activity:849005, activity:849006, activity:849007, activity:849008, activity:849009, activity:849010, activity:849011, activity:849012, activity:849013, activity:849014, activity:849015, activity:2327923, activity:2327924, activity:2327925, activity:2327926, activity:2327927, activity:2426278, activity:2426313, activity:2426372, activity:2426408