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Sources
563508
Source:
http://linkedlifedata.com/resource/chembl/compound/563508
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Subject
(
36
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C14H19N5O5S/c15-7(14(22)23)1-2-25-4-9-10(20)11(21)13(24-9)19-6-18-8-3-16-5-17-12(8)19/h3,5-7,9-11,13,20-21H,1-2,4,15H2,(H,22,23)/t7-,9+,10+,11+,13+/m0/s1
chemicalCompound:standardIn...
PBQISZQQRZEGMN-ARYVQYHZSA-N
chemicalCompound:canonicalS...
N[C@H](CCSC[C@@H]1O[C@H]([C@@H](O)[C@@H]1O)n2cnc3cncnc23)C(=O)O
chemicalCompound:molecularF...
C14H19N5O5S
chemicalCompound:moleculeId
563508
chemicalCompound:mwFreebase
369.396
chemicalCompound:alogp
-4.149
chemicalCompound:hba
10
chemicalCompound:hbd
4
chemicalCompound:psa
181.9
chemicalCompound:rtb
7
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
2.223
chemicalCompound:acdLogP
-0.79
chemicalCompound:acdLogD
-3.295
chemicalCompound:molecularS...
molecularSpecies:ZWITTERION
chemicalCompound:fullMwt
369.396
chemicalCompound:acdMostBpk...
9.474
chemicalCompound:chemblId
CHEMBL563570
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:663508
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:2676537
,
activity:2676558