48733

Source:http://linkedlifedata.com/resource/chembl/compound/48733

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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/c8-6-1-2-10(7(11)9-6)3-4-15-5-16(12,13)14/h1-2H,3-5H2,(H2,8,9,11)(H2,12,13,14)
chemicalCompound:standardIn...	XXUKNWCJFNYLDP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1=NC(=O)N(CCOCP(=O)(O)O)C=C1
chemicalCompound:molecularF...	C7 H12 N3 O5 P
chemicalCompound:moleculeId	48733
chemicalCompound:mwFreebase	249.161
chemicalCompound:alogp	-1.665
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	135.26
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.615
chemicalCompound:acdLogP	-1.067
chemicalCompound:acdLogD	-4.969
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	249.161
chemicalCompound:acdMostBpk...	4.441
chemicalCompound:chemblId	CHEMBL418216
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:148733
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:516532, activity:516533, activity:516534, activity:516535, activity:516536, activity:516537, activity:516538, activity:516539, activity:516540, activity:516541, activity:516542, activity:516543, activity:516544, activity:516545, activity:516546, activity:516547, activity:516548, activity:539271, activity:539272, activity:539273, activity:3544437, activity:3544443, activity:3544452, activity:3544466, activity:3544475, activity:3545560, activity:3545576, activity:3545579, activity:3545596, activity:3545599, activity:3545616, activity:3545619, activity:3545631, activity:3545639, activity:3545654, activity:3545658, activity:3545671, activity:3545686, activity:3545690, activity:3545707, activity:3545710