485820

Source:http://linkedlifedata.com/resource/chembl/compound/485820

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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/C13H19N3O3/c14-13(15)9-3-1-8(2-4-9)5-16-6-11(18)12(19)10(16)7-17/h1-4,10-12,17-19H,5-7H2,(H3,14,15)/t10-,11+,12-/m1/s1
chemicalCompound:standardIn...	URZMQRPARYJONA-GRYCIOLGSA-N
chemicalCompound:canonicalS...	NC(=N)c1ccc(CN2C[C@H](O)[C@H](O)[C@@H]2CO)cc1
chemicalCompound:molecularF...	C13H19N3O3
chemicalCompound:moleculeId	485820
chemicalCompound:mwFreebase	265.308
chemicalCompound:alogp	-0.754
chemicalCompound:hba	5
chemicalCompound:hbd	5
chemicalCompound:psa	113.8
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.285
chemicalCompound:acdLogD	-2.332
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	265.308
chemicalCompound:acdMostBpk...	11.812
chemicalCompound:chemblId	CHEMBL495396
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:585820
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:2223936, activity:3485446, activity:3485540, activity:3485599, activity:3485654, activity:3487575