443409

Source:http://linkedlifedata.com/resource/chembl/compound/443409

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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/C35H50O14/c1-16-9-25(48-30-29(41)28(40)27(39)24(13-36)46-30)35(43)31(45-16)47-22-11-18-3-4-21-20(33(18,15-37)12-23(22)49-35)5-7-32(2)19(6-8-34(21,32)42)17-10-26(38)44-14-17/h10,15-16,18-25,27-31,36,39-43H,3-9,11-14H2,1-2H3/t16-,18+,19-,20+,21-,22-,23-,24-,25-,27-,28+,29-,30+,31+,32-,33-,34+,35+/m1/s1
chemicalCompound:standardIn...	QHTLPWXBPOENQB-GVVIVVNYSA-N
chemicalCompound:canonicalS...	C[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]3(O)O[C@@H]4C[C@@]5(C=O)[C@@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C[C@H]4O[C@@H]3O1
chemicalCompound:molecularF...	C35H50O14
chemicalCompound:moleculeId	443409
chemicalCompound:mwFreebase	694.763
chemicalCompound:alogp	-0.079
chemicalCompound:hba	14
chemicalCompound:hbd	6
chemicalCompound:psa	210.89
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.043
chemicalCompound:acdLogP	1.105
chemicalCompound:acdLogD	1.105
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	694.763
chemicalCompound:chemblId	CHEMBL508988
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:543409
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:2535131, activity:2535132, activity:2535133, activity:2535146, activity:2535147, activity:2535148, activity:2535157