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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 81 82 83 84 85 86 87 88 89 90  Next >> [120]
Species: 4932
Condition: SHM2
Replicates: 2
Raw OD Value: r im 0.0400±0.000565685
Normalized OD Score: sc h 0.0501±0.000335931
Z-Score: -35.1787±1.26987
p-Value: 0
Z-Factor: 0.931667
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:10|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2006-04-08 YYYY-MM-DD
Plate CH Control (+):0.03875±0.00239
Plate DMSO Control (-):0.787525±0.01679
Plate Z-Factor:0.9292
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DBLink | Rows returned: 22<< Back 1 2 3 4
6013583 ethyl (E)-docos-13-enoate
6292179 ethyl (E)-octadec-6-enoate
6436373 propan-2-yl (E)-docos-13-enoate
6436624 ethyl (E)-hexadec-9-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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