249301

Source:http://linkedlifedata.com/resource/chembl/compound/249301

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:249301_Troxacitabine_OTHER
chemicalCompound:standardIn...	InChI=1S/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1
chemicalCompound:standardIn...	RXRGZNYSEHTMHC-BQBZGAKWSA-N
chemicalCompound:canonicalS...	NC1=NC(=O)N(C=C1)[C@@H]2CO[C@H](CO)O2
chemicalCompound:molecularF...	C8H11N3O4
chemicalCompound:moleculeId	249301
chemicalCompound:mwFreebase	213.191
chemicalCompound:alogp	-1.335
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	97.38
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	-1.764
chemicalCompound:acdLogD	-1.764
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	213.191
chemicalCompound:acdMostBpk...	4.185
chemicalCompound:chemblId	CHEMBL359164
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:349301
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	TROXACITABINE
chemicalCompound:activity	activity:794101, activity:794102, activity:794103, activity:1854910, activity:1858996, activity:5079332, activity:5080963, activity:5081723, activity:5082601