188608

Source:http://linkedlifedata.com/resource/chembl/compound/188608

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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/c1-5-6-7-8-11-31-16-25-14-21-19(9-10-23(21,4)30)24(15-27)13-18(25)12-20(17(2)3)26(24,25)22(28)29/h12,15,17-19,21,30H,5-11,13-14,16H2,1-4H3,(H,28,29)/t18?,19-,21+,23+,24?,25?,26+/m1/s1
chemicalCompound:standardIn...	UWSYLWGIHYVGML-NMQCGJKJSA-N
chemicalCompound:canonicalS...	CCCCCCOCC12C[C@H]3[C@@H](CC[C@]3(C)O)C4(CC1C=C(C(C)C)[C@@]24C(=O)O)C=O
chemicalCompound:molecularF...	C26 H40 O5
chemicalCompound:moleculeId	188608
chemicalCompound:mwFreebase	432.593
chemicalCompound:alogp	3.821
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	83.83
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.793
chemicalCompound:acdLogP	3.752
chemicalCompound:acdLogD	0.372
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	432.593
chemicalCompound:chemblId	CHEMBL326746
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:288608
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:1215691, activity:1215692, activity:1215693