Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 61 62 63 64 65 66 67 68 69 70  Next >> [120]
Species: 4932
Condition: RIC1
Replicates: 2
Raw OD Value: r im 0.0394±0.000848528
Normalized OD Score: sc h 0.0918±0.00147886
Z-Score: -11.1772±2.01761
p-Value: 9.174e-23
Z-Factor: 0.891898
Fitness Defect: 50.7431
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:10|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.70 Celcius
Date:2006-03-17 YYYY-MM-DD
Plate CH Control (+):0.0393±0.00159
Plate DMSO Control (-):0.410775±0.01287
Plate Z-Factor:0.8883
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory