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859208
Source:
http://linkedlifedata.com/resource/chembl/compound/859208
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Subject
(
61
)
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:standardIn...
InChI=1S/C17H18Cl2N4O3S/c1-2-27(25,26)17-20-11-14(19)15(21-17)16(24)23-8-6-22(7-9-23)13-5-3-4-12(18)10-13/h3-5,10-11H,2,6-9H2,1H3
chemicalCompound:standardIn...
LJHQTUUMMYLKQN-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)N2CCN(CC2)c3cccc(Cl)c3
chemicalCompound:molecularF...
C17H18Cl2N4O3S
chemicalCompound:moleculeId
859208
chemicalCompound:mwFreebase
429.321
chemicalCompound:alogp
3.247
chemicalCompound:hba
6
chemicalCompound:hbd
0
chemicalCompound:psa
91.85
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
2.656
chemicalCompound:acdLogD
2.656
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
429.321
chemicalCompound:acdMostBpk...
0.812
chemicalCompound:chemblId
CHEMBL1435324
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:959208
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:3611944
,
activity:3769413
,
activity:3841804
,
activity:3882260
,
activity:4068071
,
activity:4313776
,
activity:4682656
,
activity:4862919
,
activity:4866200
,
activity:4883955
,
activity:5045477
,
activity:5392627
,
activity:5430139
,
activity:5535592
,
activity:5688099
,
activity:5984517
,
activity:6436671
,
activity:6801821
,
activity:6964124
,
activity:7307182
,
activity:7357617
,
activity:7490068
,
activity:9791475
,
activity:9833470
,
activity:9987462
,
activity:10263209
,
activity:10426817
,
activity:10433570