236075

Source:http://linkedlifedata.com/resource/chembl/compound/236075

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C22H41NO10/c1-4-5-6-7-8-9-10-30-21-15(23-13(3)25)20(17(27)14(11-24)32-21)33-22-19(29)18(28)16(26)12(2)31-22/h12,14-22,24,26-29H,4-11H2,1-3H3,(H,23,25)
chemicalCompound:standardIn...	YKIWUDBVWNMTIE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCOC1OC(CO)C(O)C(OC2OC(C)C(O)C(O)C2O)C1NC(=O)C
chemicalCompound:molecularF...	C22 H41 N O10
chemicalCompound:moleculeId	236075
chemicalCompound:mwFreebase	479.562
chemicalCompound:alogp	-0.079
chemicalCompound:hba	10
chemicalCompound:hbd	6
chemicalCompound:psa	167.17
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.873
chemicalCompound:acdLogP	0.952
chemicalCompound:acdLogD	0.952
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	479.562
chemicalCompound:chemblId	CHEMBL142932
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:336075
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:1238291, activity:1238292, activity:1238293, activity:1238294