1081483

Source:http://linkedlifedata.com/resource/chembl/compound/1081483

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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/C23H26N2O8/c1-13(2)21(25-22(27)14-7-16(29-3)10-17(8-14)30-4)23(28)31-11-20(26)24-15-5-6-18-19(9-15)33-12-32-18/h5-10,13,21H,11-12H2,1-4H3,(H,24,26)(H,25,27)/t21-/m0/s1
chemicalCompound:standardIn...	IGBQCXWMBXWLBG-NRFANRHFSA-N
chemicalCompound:canonicalS...	COc1cc(OC)cc(c1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)Nc2ccc3OCOc3c2
chemicalCompound:molecularF...	C23H26N2O8
chemicalCompound:moleculeId	1081483
chemicalCompound:mwFreebase	458.461
chemicalCompound:alogp	2.444
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	121.42
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.504
chemicalCompound:acdLogP	3.019
chemicalCompound:acdLogD	3.019
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	458.461
chemicalCompound:acdMostBpk...	0.891
chemicalCompound:chemblId	CHEMBL1700752
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1181483
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:5907734, activity:7432311, activity:7541416