1317987

Source:http://linkedlifedata.com/resource/chembl/compound/1317987

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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:1330190
chemicalCompound:standardIn...	InChI=1S/C8H16N5S2.ClHO4/c1-9-6(10-2)13(5)8-11-7(12(3)4)14-15-8;2-1(3,4)5/h1-5H3,(H,9,10);(H,2,3,4,5)/q+1;/p-1
chemicalCompound:standardIn...	RIONXYZPUQEACO-UHFFFAOYSA-M
chemicalCompound:canonicalS...	CN\C(=N\C)\N(C)c1nc(s[s+]1)N(C)C.[O-]Cl(=O)(=O)=O
chemicalCompound:molecularF...	C8H16ClN5O4S2
chemicalCompound:moleculeId	1317987
chemicalCompound:mwFreebase	246.376
chemicalCompound:alogp	1.718
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	83.3
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	345.827
chemicalCompound:acdMostBpk...	5.102
chemicalCompound:chemblId	CHEMBL1996696
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1417987
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:8268348, activity:8317957, activity:8328613, activity:8422968, activity:8482784, activity:8507235, activity:8520737, activity:8590148, activity:8669390, activity:8671514, activity:8782152, activity:8793631, activity:8810196, activity:8917608, activity:8947442, activity:8985274, activity:9014192, activity:9047444, activity:9082389, activity:9111291, activity:9202559, activity:9233079, activity:9239959, activity:9299831, activity:9332502, activity:9373543, activity:9455605, activity:9696437, activity:9702038, activity:9730439, activity:9840071, activity:9881466, activity:9948531, activity:10047438, activity:10094578, activity:10110197, activity:10181904, activity:10198037, activity:10292367, activity:10344959, activity:10391206, activity:10460522, activity:10512451, activity:10515143, activity:10536544, activity:10611911, activity:10622405, activity:10718653, activity:10791432