83422

Source:http://linkedlifedata.com/resource/chembl/compound/83422

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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/C11H18N5O4P/c1-8(2)20-21(17,18)7-19-4-3-16-6-15-9-10(12)13-5-14-11(9)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H2,12,13,14)
chemicalCompound:standardIn...	DYKCTINXPZMOEN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)OP(=O)(O)COCCn1cnc2c(N)ncnc12
chemicalCompound:molecularF...	C11 H18 N5 O4 P
chemicalCompound:moleculeId	83422
chemicalCompound:mwFreebase	315.265
chemicalCompound:alogp	-0.384
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	135.19
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.487
chemicalCompound:acdLogP	0.261
chemicalCompound:acdLogD	-3.218
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	315.265
chemicalCompound:acdMostBpk...	4.221
chemicalCompound:chemblId	CHEMBL298824
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:183422
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:533666, activity:533667, activity:533668, activity:533669, activity:533670, activity:533671, activity:533672, activity:533673, activity:533674, activity:533675, activity:533676, activity:533677, activity:533678, activity:533679, activity:870905