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Compound InformationSONAR Target prediction
Name:

AMBRETTOLIDE

Unique Identifier:SPE00310003
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16H28O2
Molecular Weight:224.17 g/mol
X log p:4.152  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:0
Canonical Smiles:O=C1CCCCCC=CCCCCCCCCO1
Source:ex Abelmoschus moschatus and bees
Reference:Food Cosmet Toxicol 13: 707 (1975)

Found: 101 nonactive as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [101]
Species: 4932
Condition: NUM1
Replicates: 2
Raw OD Value: r im 0.6955±0.011738
Normalized OD Score: sc h 1.0116±0.010214
Z-Score: 0.5120±0.445788
p-Value: 0.626086
Z-Factor: -4.25618
Fitness Defect: 0.4683
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.30 Celcius
Date:2006-02-10 YYYY-MM-DD
Plate CH Control (+):0.0407±0.00094
Plate DMSO Control (-):0.674625±0.01425
Plate Z-Factor:0.9285
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DBLink | Rows returned: 136[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [23]
194194 hexadecyl tetradec-9-enoate
229138 pentyl 6-(1-cyclohex-2-enyl)hexanoate
289800 pentadecyl octadec-9-enoate
289801 undecyl octadec-9-enoate
289802 heptadecyl octadec-9-enoate
289803 tridecyl octadec-9-enoate

internal high similarity DBLink | Rows returned: 5
SPE00100552 0.9123
SPE00102058 0.9180
NRB 03689 0.9194
SPE00300034 0.9194
SPE00310017 0.9474

active | Cluster 983 | Additional Members: 1 | Rows returned: 0
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