499200

Source:http://linkedlifedata.com/resource/chembl/compound/499200

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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/C20H33NO9/c1-5-8-14(23)27-11-13-18(29-15(24)9-6-2)19(30-16(25)10-7-3)17(20(26)28-13)21-12(4)22/h13,17-20,26H,5-11H2,1-4H3,(H,21,22)/t13-,17+,18-,19-,20?/m1/s1
chemicalCompound:standardIn...	DTPHGSQWPXFANX-XTXBUMIZSA-N
chemicalCompound:canonicalS...	CCCC(=O)OC[C@H]1OC(O)[C@@H](NC(=O)C)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC
chemicalCompound:molecularF...	C20H33NO9
chemicalCompound:moleculeId	499200
chemicalCompound:mwFreebase	431.477
chemicalCompound:alogp	1.724
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	137.46
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.373
chemicalCompound:acdLogP	3.011
chemicalCompound:acdLogD	3.011
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	431.477
chemicalCompound:chemblId	CHEMBL489829
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:599200
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:2402379, activity:2402380, activity:2402381, activity:2402382, activity:2402383, activity:2402384, activity:2402385, activity:2402386, activity:2402387, activity:2402388, activity:2402389, activity:2402390, activity:2402395, activity:2402396, activity:2402397, activity:2402398, activity:2402399, activity:2402400, activity:2402401, activity:2402402, activity:2402403, activity:2402404, activity:2402405, activity:2402406, activity:2402407, activity:2402408, activity:2402409, activity:2402410, activity:2402411, activity:2402412, activity:2402413, activity:2402414, activity:2577838, activity:2577866, activity:2577868