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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: 114 nonactive | as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [114]
Species: 4932
Condition: GSY2
Replicates: 2
Raw OD Value: r im 0.6315±0.0159806
Normalized OD Score: sc h 0.9465±0.0130843
Z-Score: -2.5103±0.586868
p-Value: 0.0197911
Z-Factor: -0.577389
Fitness Defect: 3.9225
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:23|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.90 Celcius
Date:2008-04-30 YYYY-MM-DD
Plate CH Control (+):0.040475±0.00050
Plate DMSO Control (-):0.6657249999999999±0.01018
Plate Z-Factor:0.9591
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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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