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Compound InformationSONAR Target prediction
Name:

Antimycin A

Unique Identifier:LAT002D02
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C27H38N2O9
Molecular Weight:496.297 g/mol
X log p:8.094  (online calculus)
Lipinksi Failures3
TPSA113.04
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:11
Rotatable Bond Count:13
Canonical Smiles:CCCCCC1C(OC(=O)CC(C)C)C(C)OC(=O)C(NC(=O)c2cccc(NC=O)c2O)C(C)OC1=O

Found: 5 nonactive as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: wt18h
Replicates: 2
Raw OD Value: r im 0.7027±0.0221324
Normalized OD Score: sc h 0.8923±0.0212171
Z-Score: -2.9529±0.0550404
p-Value: 0.00317124
Z-Factor: -0.330355
Fitness Defect: 5.7536
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:2|D2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00180
Plate DMSO Control (-):0.8076749999999999±0.01978
Plate Z-Factor:0.9010
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DBLink | Rows returned: 45<< Back 1 2 3 4 5 6 7 8
11478557 [(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxy-benzoyl)amino]-2,6-dimethyl-8-(3-methylbutyl)-4,9-dioxo-1,5-
dioxonan-7-yl] 4-methylhexanoate
11620764 [3-[(3-formamido-2-hydroxy-benzoyl)amino]-2,6-dimethyl-4,9-dioxo-8-pentyl-1,5-dioxonan-7-yl]
2-methylbutanoate
11755913 [(2R,3S,6S,7R,8R)-8-butyl-3-[(3-formamido-2-hydroxy-benzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7
-yl] butanoate

internal high similarity DBLink | Rows returned: 3
BIOMOL 15 1.0000
Prest922 1.0000
SPE01502108 1.0000

active | Cluster 5241 | Additional Members: 4 | Rows returned: 1
SPE01502108 0

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