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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 11 12 13 14 15 16 17 18 19 20  Next >> [120]
Species: 4932
Condition: CHS5
Replicates: 2
Raw OD Value: r im 0.0391±0.000494975
Normalized OD Score: sc h 0.0514±0.000455339
Z-Score: -46.0202±1.25538
p-Value: 0
Z-Factor: 0.954006
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:26.70 Celcius
Date:2006-03-28 YYYY-MM-DD
Plate CH Control (+):0.038875±0.00125
Plate DMSO Control (-):0.746875±0.01052
Plate Z-Factor:0.9545
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DBLink | Rows returned: 22<< Back 1 2 3 4 Next >> 
556575 ethyl 2,3,3a,4,7,7a-hexahydro-1H-indene-2-carboxylate
4176524 ethyl 13-(1-cyclopentenyl)tridecanoate
5176736 ethyl octadec-6-enoate
5352859 propan-2-yl (E)-hexadec-9-enoate
5356108 propan-2-yl (E)-octadec-9-enoate
5363269 ethyl (E)-octadec-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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