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Compound InformationSONAR Target prediction
Name:

Solasodine

Unique Identifier:Prest1042
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C27H43NO2
Molecular Weight:375.334 g/mol
X log p:1.854  (online calculus)
Lipinksi Failures0
TPSA9.23
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:0
Canonical Smiles:CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

Found: 1 nonactive | as graph: single | with analogs
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 19170.0000±0
Normalized OD Score: sc h 1.0484±0
Z-Score: 1.3471±0
p-Value: 0.177961
Z-Factor: -5.12561
Fitness Defect: 1.7262
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:9|C4
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):17809.5±2259.84799
Plate DMSO Control (-):17786.5±3564.04555
Plate Z-Factor:-19.1868
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DBLink | Rows returned: 291 2 3 4 5 Next >> 
5250 n/a
31342 n/a
442985 n/a
581905 n/a
638272 -1
2771513 n/a

internal high similarity DBLink | Rows returned: 0

active | Cluster 10789 | Additional Members: 6 | Rows returned: 2
SPE01504607 0.584158415841584
SPE00100537 0

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