40552

Source:http://linkedlifedata.com/resource/chembl/compound/40552

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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/C20H30Cl2N5O9P/c1-19(2,9-21)35-14(28)7-33-37(30,34-8-15(29)36-20(3,4)10-22)13-31-5-6-32-27-12-26-16-17(23)24-11-25-18(16)27/h11-12H,5-10,13H2,1-4H3,(H2,23,24,25)
chemicalCompound:standardIn...	RTPDPBJXPLCKNZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(CCl)OC(=O)COP(=O)(COCCOn1cnc2c(N)ncnc12)OCC(=O)OC(C)(C)CCl
chemicalCompound:molecularF...	C20 H30 Cl2 N5 O9 P
chemicalCompound:moleculeId	40552
chemicalCompound:mwFreebase	586.36
chemicalCompound:alogp	-1.152
chemicalCompound:hba	13
chemicalCompound:hbd	1
chemicalCompound:psa	186.02
chemicalCompound:rtb	18
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.537
chemicalCompound:acdLogD	1.536
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	586.36
chemicalCompound:acdMostBpk...	4.421
chemicalCompound:chemblId	CHEMBL28951
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:140552
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:590458, activity:590459, activity:590460, activity:590461