605707

Source:http://linkedlifedata.com/resource/chembl/compound/605707

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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/C13H22N5O13P3/c1-2-3-13(4-28-33(24,25)31-34(26,27)30-32(21,22)23)9(20)8(19)12(29-13)18-6-17-7-10(14)15-5-16-11(7)18/h5-6,8-9,12,19-20H,2-4H2,1H3,(H,24,25)(H,26,27)(H2,14,15,16)(H2,21,22,23)/t8-,9+,12?,13-/m1/s1
chemicalCompound:standardIn...	VTGAZKVFAIUFMD-CEWYYZTQSA-N
chemicalCompound:canonicalS...	CCC[C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
chemicalCompound:molecularF...	C13H22N5O13P3
chemicalCompound:moleculeId	605707
chemicalCompound:mwFreebase	549.261
chemicalCompound:alogp	-1.341
chemicalCompound:hba	17
chemicalCompound:hbd	7
chemicalCompound:psa	308.56
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	0.973
chemicalCompound:acdLogP	-2.252
chemicalCompound:acdLogD	-8.262
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	549.261
chemicalCompound:acdMostBpk...	3.823
chemicalCompound:chemblId	CHEMBL604548
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:705707
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:67052, activity:67053, activity:69493, activity:69494