606393

Source:http://linkedlifedata.com/resource/chembl/compound/606393

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C16H25N5O7/c1-3-26-9(27-4-2)5-20-14(25)10-13(19-16(20)17)21(7-18-10)15-12(24)11(23)8(6-22)28-15/h7-9,11-12,15,22-24H,3-6H2,1-2H3,(H2,17,19)/t8-,11-,12-,15?/m1/s1
chemicalCompound:standardIn...	XLEZLAALCQQYHC-JTWWZTCWSA-N
chemicalCompound:canonicalS...	CCOC(CN1C(=Nc2c(ncn2C3O[C@H](CO)[C@@H](O)[C@H]3O)C1=O)N)OCC
chemicalCompound:molecularF...	C16H25N5O7
chemicalCompound:moleculeId	606393
chemicalCompound:mwFreebase	399.399
chemicalCompound:alogp	-1.538
chemicalCompound:hba	10
chemicalCompound:hbd	4
chemicalCompound:psa	164.89
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.217
chemicalCompound:acdLogP	-0.957
chemicalCompound:acdLogD	-0.957
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	399.399
chemicalCompound:acdMostBpk...	2.534
chemicalCompound:chemblId	CHEMBL612170
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:706393
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:575852, activity:575853, activity:575854, activity:575855, activity:575856, activity:575857, activity:575858, activity:575859, activity:575860, activity:575861, activity:575862, activity:575863, activity:575864, activity:575865, activity:575866, activity:575867, activity:575868, activity:575869