41468

Source:http://linkedlifedata.com/resource/chembl/compound/41468

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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/C17H18N8O5S5/c18-1-2-31-3-7-16(35-24-22-7)34-8-5-32-14-10(13(27)25(14)11(8)15(28)29)21-12(26)9(23-30)6-4-33-17(19)20-6/h4,10,14,30H,1-3,5,18H2,(H2,19,20)(H,21,26)(H,28,29)/b23-9-/t10-,14-/m1/s1
chemicalCompound:standardIn...	UARXIHHRTYOESR-UPRLUYEASA-N
chemicalCompound:canonicalS...	NCCSCc1nnsc1SC2=C(N3[C@H](SC2)[C@H](NC(=O)\C(=N/O)\c4csc(N)n4)C3=O)C(=O)O
chemicalCompound:molecularF...	C17 H18 N8 O5 S5
chemicalCompound:moleculeId	41468
chemicalCompound:mwFreebase	574.7
chemicalCompound:alogp	-2.735
chemicalCompound:hba	14
chemicalCompound:hbd	5
chemicalCompound:psa	342.39
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.961
chemicalCompound:acdLogP	-1.275
chemicalCompound:acdLogD	-4.089
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	574.7
chemicalCompound:acdMostBpk...	8.705
chemicalCompound:chemblId	CHEMBL31932
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:141468
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:111676, activity:111677, activity:111678