83733

Source:http://linkedlifedata.com/resource/chembl/compound/83733

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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/C12H20N5O4P/c1-3-20-22(18,21-4-2)9-19-6-5-17-8-16-10-11(13)14-7-15-12(10)17/h7-8H,3-6,9H2,1-2H3,(H2,13,14,15)
chemicalCompound:standardIn...	SACBMARVYGBCAK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOP(=O)(COCCn1cnc2c(N)ncnc12)OCC
chemicalCompound:molecularF...	C12 H20 N5 O4 P
chemicalCompound:moleculeId	83733
chemicalCompound:mwFreebase	329.292
chemicalCompound:alogp	-0.373
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	124.19
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	0.725
chemicalCompound:acdLogD	0.724
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	329.292
chemicalCompound:acdMostBpk...	4.184
chemicalCompound:chemblId	CHEMBL55800
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:183733
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:525594, activity:525595, activity:525596, activity:888064, activity:888065