40053

Source:http://linkedlifedata.com/resource/chembl/compound/40053

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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/C16H26N5O7P/c1-5-26-29(23,27-8-12(22)28-16(2,3)4)11-24-6-7-25-21-10-20-13-14(17)18-9-19-15(13)21/h9-10H,5-8,11H2,1-4H3,(H2,17,18,19)
chemicalCompound:standardIn...	XVKLWCCEXUVMHJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOP(=O)(COCCOn1cnc2c(N)ncnc12)OCC(=O)OC(C)(C)C
chemicalCompound:molecularF...	C16 H26 N5 O7 P
chemicalCompound:moleculeId	40053
chemicalCompound:mwFreebase	431.381
chemicalCompound:alogp	-2.075
chemicalCompound:hba	11
chemicalCompound:hbd	1
chemicalCompound:psa	159.72
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	0.72
chemicalCompound:acdLogD	0.719
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	431.381
chemicalCompound:acdMostBpk...	4.425
chemicalCompound:chemblId	CHEMBL27616
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:140053
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:553895, activity:553896, activity:553897, activity:553898