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Compound InformationSONAR Target prediction
Name:

LITHOCHOL-11-ENIC ACID

Unique Identifier:SPE01500848
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24H38O3
Molecular Weight:337.263 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CC(CCC(O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C=CC12C
Source:Curvularia spp.
Reference:J Chem Soc 1974: 1797

Found: 66 nonactive | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [66]
Species: 4932
Condition: IKI3
Replicates: 2
Raw OD Value: r im 0.6935±0.000141421
Normalized OD Score: sc h 1.0270±0.00177881
Z-Score: 1.3040±0.134966
p-Value: 0.194263
Z-Factor: -1.61741
Fitness Defect: 1.6385
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:22|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2008-06-12 YYYY-MM-DD
Plate CH Control (+):0.04085±0.00123
Plate DMSO Control (-):0.655025±0.01464
Plate Z-Factor:0.9159
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 15990 | Additional Members: 2 | Rows returned: 1
SPE01500856 0

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