858218

Source:http://linkedlifedata.com/resource/chembl/compound/858218

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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/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22?,23-,24-,25+/m0/s1
chemicalCompound:standardIn...	VOVIALXJUBGFJZ-DZSVZFANSA-N
chemicalCompound:canonicalS...	CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)C4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO
chemicalCompound:molecularF...	C25H34O6
chemicalCompound:moleculeId	858218
chemicalCompound:mwFreebase	430.534
chemicalCompound:alogp	2.198
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	93.06
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.866
chemicalCompound:acdLogP	3.204
chemicalCompound:acdLogD	3.204
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	430.534
chemicalCompound:chemblId	CHEMBL1434334
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:958218
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:3634106, activity:3648451, activity:3695172, activity:3988061, activity:4278516, activity:4358580, activity:4402450, activity:4535829, activity:4538193, activity:4745901, activity:4904781, activity:4921867, activity:4966370, activity:5691795, activity:5856530, activity:5875831, activity:7493800, activity:7525184