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Compound InformationSONAR Target prediction
Name:

Corticosterone

Unique Identifier:LOPAC 00759
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H30O4
Molecular Weight:319.246 g/mol
X log p:0.527  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO
Class:Hormone
Selectivity:Glucocorticoid

Found: 24 nonactive as graph: single | with analogs [1] << Back 21 22 23 24
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.6347±0.0108187
Normalized OD Score: sc h 1.0244±0.00543048
Z-Score: 0.7473±0.252873
p-Value: 0.462038
Z-Factor: -3.96274
Fitness Defect: 0.7721
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:3|F11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.045825000000000005±0.00080
Plate DMSO Control (-):0.701225±0.13565
Plate Z-Factor:0.2500
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DBLink | Rows returned: 112 Next >> 
5753 (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17
-dodecahydrocyclopenta[a]phenanthren-3-one
165276 (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dod
ecahydro-1H-cyclopenta[a]phenanthren-3-one
256277 (8S,9S,10R,11R,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17
-dodecahydrocyclopenta[a]phenanthren-3-one
439739 11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phe
nanthren-3-one
439858 (8S,9S,10R,13R,14S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecah
ydrocyclopenta[a]phenanthren-3-one
534502 11-hydroxy-17-(2-hydroxyacetyl)-9,10,13-trimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]ph
enanthren-3-one

internal high similarity DBLink | Rows returned: 6
LOPAC 00951 0.9184
SPE01701060 0.9200
NRB 03831 0.9592
SPE01500380 0.9600
LOPAC 00948 0.9608
SPE00300024 0.9615

active | Cluster 10196 | Additional Members: 12 | Rows returned: 0

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