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Compound InformationSONAR Target prediction
Name:

Halcinonide

Unique Identifier:Prest1069
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24ClFH32O5
Molecular Weight:424.721 g/mol
X log p:0.586  (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

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1981.0000±0
Normalized OD Score: sc h 0.9980±0
Z-Score: -0.0440±0
p-Value: 0.96487
Z-Factor: -9.04323
Fitness Defect: 0.0358
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:9|B6
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):934.5±887.42587
Plate DMSO Control (-):1947.5±635.64730
Plate Z-Factor:-4.7271
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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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