188365

Source:http://linkedlifedata.com/resource/chembl/compound/188365

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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/C24H39N5O9/c25-7-6-16(30)22(34)29-15-9-17(31)18(10-28-24(35)36-11-12-4-2-1-3-5-12)37-23(15)38-21-14(27)8-13(26)19(32)20(21)33/h1-5,13-21,23,30-33H,6-11,25-27H2,(H,28,35)(H,29,34)
chemicalCompound:standardIn...	NQZIECVETODGBK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NCCC(O)C(=O)NC1CC(O)C(CNC(=O)OCc2ccccc2)OC1OC3C(N)CC(N)C(O)C3O
chemicalCompound:molecularF...	C24 H39 N5 O9
chemicalCompound:moleculeId	188365
chemicalCompound:mwFreebase	541.595
chemicalCompound:alogp	-3.857
chemicalCompound:hba	12
chemicalCompound:hbd	9
chemicalCompound:psa	244.87
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.116
chemicalCompound:acdLogP	-1.517
chemicalCompound:acdLogD	-5.167
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	541.595
chemicalCompound:acdMostBpk...	9.489
chemicalCompound:chemblId	CHEMBL326058
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:288365
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:212975, activity:212976, activity:212977, activity:212978