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Compound InformationSONAR Target prediction
Name:

U-73122

Unique Identifier:LOPAC 00476
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C29H40N2O3
Molecular Weight:424.322 g/mol
X log p:10.846  (online calculus)
Lipinksi Failures1
TPSA46.61
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:9
Canonical Smiles:COc1ccc2C3CCC4(C)C(CCC4C3CCc2c1)NCCCCCCn1c(=O)ccc1=O
Class:Lipid
Action:Inhibitor
Selectivity:PLC, A2

Found: 20 nonactive | as graph: single | with analogs << Back 11 12 13 14 15 16 17 18 19 20 Next >> 
Species: 4932
Condition: PAC10
Replicates: 2
Raw OD Value: r im 0.6110±0.202798
Normalized OD Score: sc h 0.8272±0.264192
Z-Score: -7.7822±11.9148
p-Value: 0.260156
Z-Factor: -5.3773
Fitness Defect: 1.3465
Bioactivity Statement: Outlier
Experimental Conditions
Library:Lopac
Plate Number and Position:16|D6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2005-04-15 YYYY-MM-DD
Plate CH Control (+):0.046925±0.00161
Plate DMSO Control (-):0.7003750000000001±0.04238
Plate Z-Factor:0.9455
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 3283 | Additional Members: 12 | Rows returned: 72 Next >> 
SPE01501191 0.534883720930233
SPE01505077 0.487179487179487
SPE01501180 0.416666666666667
SPE01501178 0.333333333333333
SPE01501182 0.305555555555556
LAT002A11 0

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