105481

Source:http://linkedlifedata.com/resource/chembl/compound/105481

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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/C17H16N6O5S3/c1-28-21-10(9-6-31-17(18)19-9)13(24)20-11-14(25)23-12(16(26)27)8(5-30-15(11)23)4-22-2-3-29-7-22/h2-3,6-7,11,15H,4-5H2,1H3,(H3-,18,19,20,24,26,27)/b21-10-/t11-,15-/m1/s1
chemicalCompound:standardIn...	BRRKAKGHFZKJAQ-QVJRADPESA-N
chemicalCompound:canonicalS...	CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])C[n+]3ccsc3)\c4csc(N)n4
chemicalCompound:molecularF...	C17 H16 N6 O5 S3
chemicalCompound:moleculeId	105481
chemicalCompound:mwFreebase	480.541
chemicalCompound:alogp	-0.776
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	235.7
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.319
chemicalCompound:acdLogP	-3.751
chemicalCompound:acdLogD	-3.203
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	480.541
chemicalCompound:acdMostBpk...	1.699
chemicalCompound:chemblId	CHEMBL66055
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:205481
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:424752, activity:424753, activity:424754, activity:424755, activity:424756, activity:424757, activity:424758, activity:424759, activity:424760, activity:424761, activity:424762, activity:424763, activity:424764, activity:424765