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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 61 62 63 64 65 66 Next >> [66]
Species: 4932
Condition: VBA3
Replicates: 2
Raw OD Value: r im 0.6829±0.00502046
Normalized OD Score: sc h 0.9973±0.000512014
Z-Score: -0.1450±0.0257169
p-Value: 0.884764
Z-Factor: -236.202
Fitness Defect: 0.1224
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:22|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-03-12 YYYY-MM-DD
Plate CH Control (+):0.041575±0.00042
Plate DMSO Control (-):0.662875±0.01577
Plate Z-Factor:0.9184
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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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