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Compound InformationSONAR Target prediction
Name:

CHAULMOOGRIC ACID, ETHYL ESTER

Unique Identifier:SPE00310017
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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
Source:semisynthetic
Therapeutics:antilepretic

Found: 120 active | as graph: single | with analogs [1] << Back 101 102 103 104 105 106 107 108 109 110  Next >> [120]
Species: 4932
Condition: CIN8
Replicates: 2
Raw OD Value: r im 0.6614±0.00381838
Normalized OD Score: sc h 0.0540±0.00433407
Z-Score: -51.5857±0.498284
p-Value: 0
Z-Factor: 0.941014
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:23|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2008-02-06 YYYY-MM-DD
Plate CH Control (+):0.041225±0.00085
Plate DMSO Control (-):0.6574±0.01564
Plate Z-Factor:0.9171
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DBLink | Rows returned: 221 2 3 4 Next >> 
2700 ethyl 13-(1-cyclopent-2-enyl)tridecanoate
8123 ethyl octadec-9-enoate
19082 ethyl 11-(1-cyclopent-2-enyl)undecanoate
66981 propan-2-yl octadec-9-enoate
92067 ethyl hexadec-9-enoate
94479 ethyl docos-13-enoate

internal high similarity DBLink | Rows returned: 1
SPE00310003 0.9474

active | Cluster 3231 | Additional Members: 3 | Rows returned: 1
SPE00310016 0.3125

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