627974

Source:http://linkedlifedata.com/resource/chembl/compound/627974

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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/C10H15N3O6/c11-5-1-2-13(10(18)12-5)9-8(17)7(16)6(15)4(3-14)19-9/h1-2,4,6-9,14-17H,3H2,(H2,11,12,18)/t4-,6-,7+,8-,9-/m1/s1
chemicalCompound:standardIn...	YYUQXKHCNLFJNF-DDIGBBAMSA-N
chemicalCompound:canonicalS...	NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O
chemicalCompound:molecularF...	C10H15N3O6
chemicalCompound:moleculeId	627974
chemicalCompound:mwFreebase	273.243
chemicalCompound:alogp	-2.907
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	148.84
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.24
chemicalCompound:acdLogP	-3.452
chemicalCompound:acdLogD	-3.452
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	273.243
chemicalCompound:acdMostBpk...	4.276
chemicalCompound:chemblId	CHEMBL1096136
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:727974
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:3300104