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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 << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr22h
Replicates: 2
Raw OD Value: r im 0.6950±0.0126572
Normalized OD Score: sc h 1.0168±0.0144168
Z-Score: 0.7908±0.509458
p-Value: 0.45826
Z-Factor: -6.8007
Fitness Defect: 0.7803
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:1|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.039875±0.00191
Plate DMSO Control (-):0.69555±0.23190
Plate Z-Factor:-0.0688
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DBLink | Rows returned: 371 2 3 4 5 6 7 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
SPE00310017 1.0000

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

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