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Compound InformationSONAR Target prediction
Name:

HALCINONIDE

Unique Identifier:SPE01503237
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24ClFH32O5
Molecular Weight:422.705 g/mol
X log p:0.432  (online calculus)
Lipinksi Failures0
TPSA52.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:2
Canonical Smiles:CC1(C)OC2CC3C4CCC5=CC(=O)CCC5(C)C4(F)C(O)CC3(C)C2(O1)C(=O)CCl
Therapeutics:glucocorticoid, antiinflammatory

Found: 114 nonactive as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [114]
Species: 4932
Condition: IRE1
Replicates: 2
Raw OD Value: r im 0.7145±0.00601041
Normalized OD Score: sc h 0.9975±0.00519857
Z-Score: -0.4589±0.293684
p-Value: 0.653348
Z-Factor: -12.5742
Fitness Defect: 0.4256
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:13|H10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2007-11-23 YYYY-MM-DD
Plate CH Control (+):0.040124999999999994±0.00155
Plate DMSO Control (-):0.703675±0.01716
Plate Z-Factor:0.9133
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DBLink | Rows returned: 5
3553
18342
443943
5702233
6604313

internal high similarity DBLink | Rows returned: 0

active | Cluster 13203 | Additional Members: 4 | Rows returned: 0
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