416350

Source:http://linkedlifedata.com/resource/chembl/compound/416350

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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/C15H21N5O5S/c1-2-24-9(21)3-4-26-5-8-11(22)12(23)15(25-8)20-7-19-10-13(16)17-6-18-14(10)20/h6-8,11-12,15,22-23H,2-5H2,1H3,(H2,16,17,18)/t8-,11-,12-,15-/m1/s1
chemicalCompound:standardIn...	JWLFDOVUTJFNAB-PMXXHBEXSA-N
chemicalCompound:canonicalS...	CCOC(=O)CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
chemicalCompound:molecularF...	C15 H21 N5 O5 S
chemicalCompound:moleculeId	416350
chemicalCompound:mwFreebase	383.423
chemicalCompound:alogp	-0.424
chemicalCompound:hba	10
chemicalCompound:hbd	3
chemicalCompound:psa	170.91
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.122
chemicalCompound:acdLogP	0.594
chemicalCompound:acdLogD	0.594
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	383.423
chemicalCompound:acdMostBpk...	3.823
chemicalCompound:chemblId	CHEMBL400909
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:516350
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:2049194, activity:2049199, activity:2096326, activity:2096340, activity:2096355