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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: 5 active | as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.4254±0.129754
Normalized OD Score: sc h 0.6833±0.185171
Z-Score: -8.4747±4.3833
p-Value: 0.0000000382302
Z-Factor: -1.12826
Fitness Defect: 17.0796
Bioactivity Statement: Active
Experimental Conditions
Library:Lopac
Plate Number and Position:10|F10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2005-11-15 YYYY-MM-DD
Plate CH Control (+):0.038925±0.02430
Plate DMSO Control (-):0.667825±0.02097
Plate Z-Factor:0.6217
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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

nonactive | Cluster 14085 | Additional Members: 3 | Rows returned: 1
SPE01503278 0

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