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561704
Source:
http://linkedlifedata.com/resource/chembl/compound/561704
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Subject
(
36
)
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Inference
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Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C13H19N7O5S/c14-5(13(23)24)1-2-26-3-6-8(21)9(22)12(25-6)20-11-7(18-19-20)10(15)16-4-17-11/h4-6,8-9,12,21-22H,1-3,14H2,(H,23,24)(H2,15,16,17)/t5?,6-,8-,9-,12-/m1/s1
chemicalCompound:standardIn...
ZTAQMRJGWYNIJC-NRJACJQQSA-N
chemicalCompound:canonicalS...
NC(CCSC[C@@H]1O[C@H]([C@@H](O)[C@@H]1O)n2nnc3c(N)ncnc23)C(=O)O
chemicalCompound:molecularF...
C13H19N7O5S
chemicalCompound:moleculeId
561704
chemicalCompound:mwFreebase
385.399
chemicalCompound:alogp
-4.267
chemicalCompound:hba
12
chemicalCompound:hbd
5
chemicalCompound:psa
220.81
chemicalCompound:rtb
7
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
2.223
chemicalCompound:acdLogP
-1.383
chemicalCompound:acdLogD
-3.886
chemicalCompound:molecularS...
molecularSpecies:ZWITTERION
chemicalCompound:fullMwt
385.399
chemicalCompound:acdMostBpk...
9.474
chemicalCompound:chemblId
CHEMBL552246
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:661704
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:2676541
,
activity:2676562