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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 2 3 4 5 6 7 8 9 10  Next >> [66]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.6788±0.0121622
Normalized OD Score: sc h 0.9445±0.0143938
Z-Score: -2.9413±0.699454
p-Value: 0.00750428
Z-Factor: -1.03734
Fitness Defect: 4.8923
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:22|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.040425±0.00077
Plate DMSO Control (-):0.7064250000000001±0.01506
Plate Z-Factor:0.9339
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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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