1122953

Source:http://linkedlifedata.com/resource/chembl/compound/1122953

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:5955
chemicalCompound:standardIn...	InChI=1S/C27H31NO3.C4H6O6/c1-28-13-12-27-19-15-26(11-10-17-6-4-3-5-7-17)16-30-24(26)25(27)31-23-21(29-2)9-8-18(22(23)27)14-20(19)28;5-1(3(7)8)2(6)4(9)10/h3-9,19-20,24-25H,10-16H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t19?,20?,24-,25?,26-,27?;1-,2-/m10/s1
chemicalCompound:standardIn...	FVFNAXOMRSJWSZ-APYCUODFSA-N
chemicalCompound:canonicalS...	COc1ccc2CC3C4C[C@]5(CCc6ccccc6)CO[C@@H]5C7Oc1c2C47CCN3C.O[C@@H]([C@H](O)C(=O)O)C(=O)O
chemicalCompound:molecularF...	C31H37NO9
chemicalCompound:moleculeId	1122953
chemicalCompound:mwFreebase	417.54
chemicalCompound:alogp	4.16
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	30.93
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.784
chemicalCompound:acdLogD	1.545
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	567.627
chemicalCompound:acdMostBpk...	8.62
chemicalCompound:chemblId	CHEMBL1744382
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222953
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:562776