40090

Source:http://linkedlifedata.com/resource/chembl/compound/40090

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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/C20H32N5O9P/c1-19(2,3)33-14(26)9-31-35(28,32-10-15(27)34-20(4,5)6)13-29-7-8-30-25-12-24-16-17(21)22-11-23-18(16)25/h11-12H,7-10,13H2,1-6H3,(H2,21,22,23)
chemicalCompound:standardIn...	CHAJZYKDYYMHIW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)OC(=O)COP(=O)(COCCOn1cnc2c(N)ncnc12)OCC(=O)OC(C)(C)C
chemicalCompound:molecularF...	C20 H32 N5 O9 P
chemicalCompound:moleculeId	40090
chemicalCompound:mwFreebase	517.47
chemicalCompound:alogp	-1.785
chemicalCompound:hba	13
chemicalCompound:hbd	1
chemicalCompound:psa	186.02
chemicalCompound:rtb	16
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.289
chemicalCompound:acdLogD	1.289
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	517.47
chemicalCompound:acdMostBpk...	4.424
chemicalCompound:chemblId	CHEMBL28877
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:140090
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:573198, activity:573199, activity:573200, activity:573201