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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: MCM21
Replicates: 2
Raw OD Value: r im 0.6262±0.00770746
Normalized OD Score: sc h 0.9852±0.00102427
Z-Score: -0.7248±0.0114515
p-Value: 0.468562
Z-Factor: -4.22118
Fitness Defect: 0.7581
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2007-11-07 YYYY-MM-DD
Plate CH Control (+):0.040749999999999995±0.00276
Plate DMSO Control (-):0.6321±0.01949
Plate Z-Factor:0.8972
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DBLink | Rows returned: 1361 2 3 4 5 6 7 8 9 10  Next >> [23]
8898 butyl octadec-9-enoate
31267 1-oxacycloheptadec-8-en-2-one
76195 octadec-9-enyl hexadecanoate
87224 octadecyl octadec-9-enoate
87225 octadec-9-enyl octadecanoate
88466 hexyl 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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