172723

Source:http://linkedlifedata.com/resource/chembl/compound/172723

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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/C10H16ClN5O8P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23-25(17,18)19)4-24-26(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)
chemicalCompound:standardIn...	GMCUIIHBWNOHIM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNc1nc(Cl)nc2c1ncn2CC(COP(=O)(O)O)COP(=O)(O)O
chemicalCompound:molecularF...	C10 H16 Cl N5 O8 P2
chemicalCompound:moleculeId	172723
chemicalCompound:mwFreebase	431.663
chemicalCompound:alogp	0.009
chemicalCompound:hba	12
chemicalCompound:hbd	5
chemicalCompound:psa	208.77
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.549
chemicalCompound:acdLogP	-4.069
chemicalCompound:acdLogD	-10.08
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	431.663
chemicalCompound:acdMostBpk...	1.526
chemicalCompound:chemblId	CHEMBL104784
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:272723
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:449369, activity:1206895, activity:1206896