172771

Source:http://linkedlifedata.com/resource/chembl/compound/172771

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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/C11H18ClN5O8P2/c1-13-9-8-10(16-11(12)15-9)17(6-14-8)3-2-7(4-24-26(18,19)20)5-25-27(21,22)23/h6-7H,2-5H2,1H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23)
chemicalCompound:standardIn...	PNKXGOOONVKRHI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNc1nc(Cl)nc2c1ncn2CCC(COP(=O)(O)O)COP(=O)(O)O
chemicalCompound:molecularF...	C11 H18 Cl N5 O8 P2
chemicalCompound:moleculeId	172771
chemicalCompound:mwFreebase	445.69
chemicalCompound:alogp	0.234
chemicalCompound:hba	12
chemicalCompound:hbd	5
chemicalCompound:psa	208.77
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.565
chemicalCompound:acdLogP	-3.987
chemicalCompound:acdLogD	-9.98
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	445.69
chemicalCompound:acdMostBpk...	1.578
chemicalCompound:chemblId	CHEMBL108166
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:272771
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:37542, activity:470445, activity:1200169, activity:1200170, activity:1200171, activity:1217168, activity:1217169