606608

Source:http://linkedlifedata.com/resource/chembl/compound/606608

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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/C12H16N4O6/c1-14-9-6(10(20)15(2)12(14)21)16(4-13-9)11-8(19)7(18)5(3-17)22-11/h4-5,7-8,11,17-19H,3H2,1-2H3/t5-,7-,8-,11?/m1/s1
chemicalCompound:standardIn...	QVJYWLRRZPETNA-YNJARDAQSA-N
chemicalCompound:canonicalS...	CN1C(=O)N(C)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2C1=O
chemicalCompound:molecularF...	C12H16N4O6
chemicalCompound:moleculeId	606608
chemicalCompound:mwFreebase	312.279
chemicalCompound:alogp	-1.745
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	128.36
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.223
chemicalCompound:acdLogP	-1.831
chemicalCompound:acdLogD	-1.831
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	312.279
chemicalCompound:chemblId	CHEMBL610675
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:706608
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:471474, activity:471475, activity:471476, activity:471477, activity:471478