100481

Source:http://linkedlifedata.com/resource/chembl/compound/100481

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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/C29H32N2O11/c1-11-24(34)15(31-10-18(30)33)7-19(41-11)42-17-9-29(39,12(2)32)8-14-21(17)28(38)23-22(26(14)36)25(35)13-5-4-6-16(40-3)20(13)27(23)37/h4-6,11,15,17,19,24,31,34,36,38-39H,7-10H2,1-3H3,(H2,30,33)/t11?,15?,17-,19?,24?,29-/m0/s1
chemicalCompound:standardIn...	WKCYAQRUHIRHRE-JKHBLNKOSA-N
chemicalCompound:canonicalS...	COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(NCC(=O)N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C
chemicalCompound:molecularF...	C29 H32 N2 O11
chemicalCompound:moleculeId	100481
chemicalCompound:mwFreebase	584.571
chemicalCompound:alogp	-0.087
chemicalCompound:hba	12
chemicalCompound:hbd	6
chemicalCompound:psa	214.93
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.385
chemicalCompound:acdLogP	0.16
chemicalCompound:acdLogD	-0.332
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	584.571
chemicalCompound:acdMostBpk...	6.346
chemicalCompound:chemblId	CHEMBL61898
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:200481
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:1009363, activity:1009364, activity:1009365, activity:1009366