100938

Source:http://linkedlifedata.com/resource/chembl/compound/100938

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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/C7H12N3O5P/c8-7-9-2-1-6(10-7)15-4-3-14-5-16(11,12)13/h1-2H,3-5H2,(H2,8,9,10)(H2,11,12,13)
chemicalCompound:standardIn...	YJTOCJYVMYCJRK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nccc(OCCOCP(=O)(O)O)n1
chemicalCompound:molecularF...	C7 H12 N3 O5 P
chemicalCompound:moleculeId	100938
chemicalCompound:mwFreebase	249.161
chemicalCompound:alogp	-0.565
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	137.6
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.583
chemicalCompound:acdLogP	-0.824
chemicalCompound:acdLogD	-4.732
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	249.161
chemicalCompound:acdMostBpk...	5.337
chemicalCompound:chemblId	CHEMBL293424
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:200938
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:542995, activity:542996, activity:542997, activity:542998, activity:542999, activity:543000, activity:543001, activity:543002, activity:543003, activity:543004, activity:543005, activity:543006, activity:543007, activity:543008, activity:543009, activity:543010, activity:543011