18807

Source:http://linkedlifedata.com/resource/chembl/compound/18807

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C26H27NO10/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33/h3-5,9,13,15-16,21,29-30,32,34-35H,6-8,27H2,1-2H3/t9?,13?,15-,16?,21?,26-/m0/s1
chemicalCompound:standardIn...	XREUEWVEMYWFFA-RAHGCLRASA-N
chemicalCompound:canonicalS...	CC1OC(CC(N)C1O)O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(O)c5C(=O)c4c(O)c23)C(=O)C
chemicalCompound:molecularF...	C26 H27 N O10
chemicalCompound:moleculeId	18807
chemicalCompound:mwFreebase	513.493
chemicalCompound:alogp	0.402
chemicalCompound:hba	11
chemicalCompound:hbd	6
chemicalCompound:psa	196.84
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.455
chemicalCompound:acdLogP	1.912
chemicalCompound:acdLogD	-0.515
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	513.493
chemicalCompound:acdMostBpk...	8.678
chemicalCompound:chemblId	CHEMBL275147
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:118807
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No