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1287812
Source:
http://linkedlifedata.com/resource/chembl/compound/1287812
Search
Subject
(
91
)
Predicate
Object
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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:parent
chemicalCompound:782712
chemicalCompound:standardIn...
InChI=1S/C15H12N2O5.ClH/c1-17(2)7-3-4-9-11(5-7)22-14-12(16-9)8(15(20)21)6-10(18)13(14)19;/h3-6H,1-2H3,(H2-,16,18,19,20,21);1H
chemicalCompound:standardIn...
ADAUKUOAOMLVSN-UHFFFAOYSA-N
chemicalCompound:canonicalS...
[Cl-].CN(C)c1ccc2nc3c(cc(O)c(O)c3[o+]c2c1)C(=O)O
chemicalCompound:molecularF...
C15H13ClN2O5
chemicalCompound:moleculeId
1287812
chemicalCompound:mwFreebase
301.274
chemicalCompound:alogp
2.652
chemicalCompound:hba
6
chemicalCompound:hbd
3
chemicalCompound:psa
105.19
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
336.727
chemicalCompound:acdMostBpk...
5.293
chemicalCompound:chemblId
CHEMBL1966521
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1387812
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:8243743
,
activity:8254105
,
activity:8303687
,
activity:8318844
,
activity:8408883
,
activity:8424865
,
activity:8440063
,
activity:8482265
,
activity:8524337
,
activity:8580704
,
activity:8605206
,
activity:8661714
,
activity:8682033
,
activity:8772647
,
activity:8779441
,
activity:8809319
,
activity:8856989
,
activity:8907913
,
activity:8932710
,
activity:8975566
,
activity:9070769
,
activity:9076344
,
activity:9099401
,
activity:9101648
,
activity:9192776
,
activity:9236773
,
activity:9292094
,
activity:9297726
,
activity:9364728
,
activity:9370990
,
activity:9443635
,
activity:9454708
,
activity:9521897
,
activity:9695627
,
activity:9720488
,
activity:9796166
,
activity:9867355
,
activity:9896328
,
activity:9930021
,
activity:9967881
,
activity:10029103
,
activity:10044499
,
activity:10085121
,
activity:10157242
,
activity:10176691
,
activity:10221536
,
activity:10254278
,
activity:10261150
,
activity:10276663
,
activity:10372887
,
activity:10402224
,
activity:10446618
,
activity:10498405
,
activity:10599499
,
activity:10606893
,
activity:10621782
,
activity:10704644
,
activity:10724763
,
activity:10797538