556400

Source:http://linkedlifedata.com/resource/chembl/compound/556400

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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/C15H22N6O5S2/c1-27-15-19-11(17)8-12(20-15)21(5-18-8)13-10(23)9(22)7(26-13)4-28-3-2-6(16)14(24)25/h5-7,9-10,13,22-23H,2-4,16H2,1H3,(H,24,25)(H2,17,19,20)/t6?,7-,9-,10-,13-/m1/s1
chemicalCompound:standardIn...	FZNNAUXTFHPMLS-ZRURSIFKSA-N
chemicalCompound:canonicalS...	CSc1nc(N)c2ncn([C@@H]3O[C@@H](CSCCC(N)C(=O)O)[C@@H](O)[C@@H]3O)c2n1
chemicalCompound:molecularF...	C15H22N6O5S2
chemicalCompound:moleculeId	556400
chemicalCompound:mwFreebase	430.502
chemicalCompound:alogp	-3.293
chemicalCompound:hba	12
chemicalCompound:hbd	5
chemicalCompound:psa	233.23
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.223
chemicalCompound:acdLogP	-1.081
chemicalCompound:acdLogD	-3.583
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	430.502
chemicalCompound:acdMostBpk...	9.474
chemicalCompound:chemblId	CHEMBL558406
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:656400
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:2676548, activity:2676568