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Compound InformationSONAR Target prediction
Name:

2,3,29-TRIACETOXY-24-NOR-1,3,5,7-FRIEDELATETRAENE

Unique Identifier:SPE01504238
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C35H48O6
Molecular Weight:516.371 g/mol
X log p:4.721  (online calculus)
Lipinksi Failures0
TPSA78.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:7
Canonical Smiles:CC(=O)OCC1(C)CCC2(C)CCC3(C)C4=CCc5c(C)c(OC(C)=O)c(OC(C)=O)cc5C4(C)CCC3
(C)C2C1
Source:derivative of celastrol

Found: 101 nonactive as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90  Next >> [101]
Species: 4932
Condition: TEP1
Replicates: 2
Raw OD Value: r im 0.6452±0.0144957
Normalized OD Score: sc h 1.0141±0.00158441
Z-Score: 0.3757±0.0193492
p-Value: 0.707182
Z-Factor: -41.5035
Fitness Defect: 0.3465
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|F11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2005-12-23 YYYY-MM-DD
Plate CH Control (+):0.038650000000000004±0.00137
Plate DMSO Control (-):0.5917749999999999±0.02659
Plate Z-Factor:0.8616
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DBLink | Rows returned: 1
6708737 [(2R,4aR,6aS,6aR,14aS)-10,11-diacetyloxy-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-pi
cen-2-yl]methyl acetate

internal high similarity DBLink | Rows returned: 0

active | Cluster 3682 | Additional Members: 3 | Rows returned: 2
SPE01504207 0.150684931506849
SPE01504082 0

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