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Compound InformationSONAR Target prediction
Name:

MUNDOSERONE

Unique Identifier:SPE00201477
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:326.216 g/mol
X log p:11.415  (online calculus)
Lipinksi Failures1
TPSA63.22
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:3
Canonical Smiles:COc1ccc2C(=O)C3C(COc4cc(OC)c(OC)cc34)Oc2c1
Class:rotenoid
Source:Mundulea suberosa; mp 156-161 C
Reference:Proc Chem Soc 1960:176; 1969:177

Found: 90 nonactive | as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [90]
Species: 4932
Condition: KEM1
Replicates: 2
Raw OD Value: r im 0.5687±0.00424264
Normalized OD Score: sc h 0.9537±0.00671364
Z-Score: -1.9011±0.178848
p-Value: 0.0592832
Z-Factor: -1.57381
Fitness Defect: 2.8254
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2008-05-08 YYYY-MM-DD
Plate CH Control (+):0.040900000000000006±0.00063
Plate DMSO Control (-):0.582025±0.02164
Plate Z-Factor:0.8624
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DBLink | Rows returned: 2
315227
3083809

internal high similarity DBLink | Rows returned: 4
SPE00201153 0.9231
SPE00211231 0.9231
BTB 14028 0.9286
SPE00201449 0.9286

active | Cluster 3220 | Additional Members: 18 | Rows returned: 91 2 Next >> 
SPE00203010 0.535714285714286
SPE00211224 0.482352941176471
SPE00201138 0.4375
SPE00200851 0.425
LAT001C04 0.315068493150685
SPE00201449 0.315068493150685

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