983665

Source:http://linkedlifedata.com/resource/chembl/compound/983665

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1047169
chemicalCompound:standardIn...	InChI=1S/C18H18N8O7S3.2Na/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;;/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32);;/q;2*+1/p-2/b24-8-;;/t9-,15+;;/m1../s1
chemicalCompound:standardIn...	FDRNWTJTHBSPMW-SMOFKPPFSA-L
chemicalCompound:canonicalS...	[Na+].[Na+].CO\N=C(/C(=O)N[C@H]1[C@@H]2SCC(=C(N2C1=O)C(=O)[O-])CSC3=NC(=O)C(=NN3C)[O-])\c4csc(N)n4
chemicalCompound:molecularF...	C18H16N8Na2O7S3
chemicalCompound:moleculeId	983665
chemicalCompound:mwFreebase	554.58
chemicalCompound:alogp	-0.273
chemicalCompound:hba	15
chemicalCompound:hbd	4
chemicalCompound:psa	291.31
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.589
chemicalCompound:acdLogP	-0.541
chemicalCompound:acdLogD	-5.322
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	598.544
chemicalCompound:acdMostBpk...	1.699
chemicalCompound:chemblId	CHEMBL1559781
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1083665
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:3692462, activity:3701090, activity:4803573, activity:4821419, activity:4985984, activity:5999316, activity:6010017, activity:6013314, activity:6025463, activity:6046368