651641

Source:http://linkedlifedata.com/resource/chembl/compound/651641

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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/C21H32O6/c1-14-5-2-6-15-7-3-8-16(25-15)9-4-10-20(24)26-17(13-22)12-19-21(27-19)18(23)11-14/h4,10,15-19,21-23H,1-3,5-9,11-13H2/b10-4-/t15-,16+,17+,18+,19+,21+/m1/s1
chemicalCompound:standardIn...	YBTHURHOQGREIX-VOSAGBOLSA-N
chemicalCompound:canonicalS...	OC[C@@H]1C[C@@H]2O[C@H]2[C@@H](O)CC(=C)CCC[C@@H]3CCC[C@@H](C\C=C/C(=O)O1)O3
chemicalCompound:molecularF...	C21H32O6
chemicalCompound:moleculeId	651641
chemicalCompound:mwFreebase	380.475
chemicalCompound:alogp	2.405
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	88.52
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.948
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	380.475
chemicalCompound:chemblId	CHEMBL1169410
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:751641
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:1520250, activity:1520251, activity:1520252