189327

Source:http://linkedlifedata.com/resource/chembl/compound/189327

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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/C26H40O5/c1-5-6-7-8-9-31-15-25-13-19-17(4)22(28)11-21(19)24(14-27)12-18(25)10-20(16(2)3)26(24,25)23(29)30/h10,14,16-19,21-22,28H,5-9,11-13,15H2,1-4H3,(H,29,30)/t17-,18?,19+,21+,22-,24?,25?,26-/m0/s1
chemicalCompound:standardIn...	KPSOPKVMQZAVMV-XBVXWMGZSA-N
chemicalCompound:canonicalS...	CCCCCCOCC12C[C@@H]3[C@H](C)[C@@H](O)C[C@H]3C4(CC1C=C(C(C)C)[C@@]24C(=O)O)C=O
chemicalCompound:molecularF...	C26 H40 O5
chemicalCompound:moleculeId	189327
chemicalCompound:mwFreebase	432.593
chemicalCompound:alogp	3.868
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	83.83
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.808
chemicalCompound:acdLogP	3.907
chemicalCompound:acdLogD	0.537
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	432.593
chemicalCompound:chemblId	CHEMBL113896
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:289327
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:1188145, activity:1188146, activity:1188147