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Compound InformationSONAR Target prediction
Name:

Chaulmoogric Acid, Ethyl Ester

Unique Identifier:LAT001B07
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C20H36O2
Molecular Weight:272.213 g/mol
X log p:4.413  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:15
Canonical Smiles:CCOC(=O)CCCCCCCCCCCCC1CCC=C1

Found: 5 nonactive as graph: single | with analogs 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.6808±0.0205061
Normalized OD Score: sc h 1.0955±0.0162959
Z-Score: 2.8574±0.67095
p-Value: 0.00901792
Z-Factor: -3.86954
Fitness Defect: 4.7085
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:1|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.040175±0.00183
Plate DMSO Control (-):0.629975±0.20881
Plate Z-Factor:-0.0737
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DBLink | Rows returned: 37<< Back 1 2 3 4 5 6 7 Next >> 
5364414 ethyl (E)-octadec-11-enoate
5364430 ethyl (E)-octadec-9-enoate
5364484 ethyl (E)-hexadec-11-enoate
5364508 ethyl (E)-docos-13-enoate
5364562 propan-2-yl (E)-octadec-9-enoate
5364759 ethyl (E)-hexadec-9-enoate

internal high similarity DBLink | Rows returned: 1
SPE00310017 1.0000

active | Cluster 3231 | Additional Members: 3 | Rows returned: 2
SPE00310016 0.3125
SPE00310017 0

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