606251

Source:http://linkedlifedata.com/resource/chembl/compound/606251

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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/C17H20N2O6/c1-10-3-2-4-11(7-10)8-19-13(21)5-6-18(17(19)24)16-15(23)14(22)12(9-20)25-16/h2-7,12,14-16,20,22-23H,8-9H2,1H3/t12-,14-,15-,16?/m1/s1
chemicalCompound:standardIn...	TXPIUUQLXNMIBI-KCMBKRDQSA-N
chemicalCompound:canonicalS...	Cc1cccc(CN2C(=O)C=CN(C3O[C@H](CO)[C@@H](O)[C@H]3O)C2=O)c1
chemicalCompound:molecularF...	C17H20N2O6
chemicalCompound:moleculeId	606251
chemicalCompound:mwFreebase	348.35
chemicalCompound:alogp	-0.175
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	110.54
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.259
chemicalCompound:acdLogP	0.605
chemicalCompound:acdLogD	0.605
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	348.35
chemicalCompound:chemblId	CHEMBL607721
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:706251
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:783413, activity:783414, activity:783415