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Compound InformationSONAR Target prediction
Name:

Mitoxantrone

Unique Identifier:LOPAC 01057
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22Cl2H30N4O6
Molecular Weight:487.164 g/mol
X log p:6.694  (online calculus)
Lipinksi Failures2
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:10
Rotatable Bond Count:12
Canonical Smiles:Cl.Cl.OCCNCCNc1ccc(NCCNCCO)c2c(=O)c3c(O)ccc(O)c3c(=O)c12
Class:DNA Metabolism
Action:Inhibitor

Found: 19 nonactive | as graph: single | with analogs << Back 11 12 13 14 15 16 17 18 19 Next >> 
Species: 4932
Condition: NOP13
Replicates: 2
Raw OD Value: r im 0.7349±0.0026163
Normalized OD Score: sc h 1.0710±0.00185128
Z-Score: 3.3483±0.399226
p-Value: 0.001226
Z-Factor: -0.628348
Fitness Defect: 6.704
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:10|F10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-22 YYYY-MM-DD
Plate CH Control (+):0.0465±0.00178
Plate DMSO Control (-):0.672875±0.02898
Plate Z-Factor:0.8527
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DBLink | Rows returned: 1
4212 5,8-dihydroxy-1,4-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione

internal high similarity DBLink | Rows returned: 0

active | Cluster 14085 | Additional Members: 3 | Rows returned: 2
Prest571 0
SPE01503278 0

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