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Compound InformationSONAR Target prediction
Name:

Etoposide

Unique Identifier:LOPAC 00610
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C29H32O13
Molecular Weight:560.334 g/mol
X log p:8.656  (online calculus)
Lipinksi Failures2
TPSA100.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:13
Rotatable Bond Count:5
Canonical Smiles:COc1cc(cc(OC)c1O)C1C2C(COC2=O)C(OC2OC3COC(C)OC3(O)CC2O)c2cc3OCOc3cc12
Class:Apoptosis
Action:Inhibitor
Selectivity:Topo II

Found: 24 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.7443±0.0708495
Normalized OD Score: sc h 1.0047±0.02027
Z-Score: 0.1600±0.749778
p-Value: 0.728994
Z-Factor: -17.7104
Fitness Defect: 0.3161
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:6|B11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.046787499999999996±0.00101
Plate DMSO Control (-):0.7538062500000003±0.03766
Plate Z-Factor:0.8896
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DBLink | Rows returned: 1
6603835

internal high similarity DBLink | Rows returned: 1
SPE01500903 0.9813

active | Cluster 2906 | Additional Members: 14 | Rows returned: 0
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