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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 111 112 113 114 115 116 117 118 119 120
Species: 4932
Condition: SLT2
Replicates: 2
Raw OD Value: r im 0.8885±0.000282843
Normalized OD Score: sc h 0.0494±0.000124141
Z-Score: -46.9125±0.0891137
p-Value: 0
Z-Factor: 0.959468
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:24|A3
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.0825±0.01200
Plate DMSO Control (-):0.937±0.04290
Plate Z-Factor:0.8669
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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

nonactive | Cluster 3231 | Additional Members: 3 | Rows returned: 2
SPE00310016 0.3125
LAT001B07 0

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