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Compound InformationSONAR Target prediction
Name:

MITOXANTHRONE HYDROCHLORIDE

Unique Identifier:SPE01503278
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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
Source:semisynthetic
Therapeutics:antineoplastic

Found: 144 active | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [144]
Species: 4932
Condition: SPE01500255
Replicates: 2
Raw OD Value: r im 0.6750±0.00579828
Normalized OD Score: sc h 1.0952±0.00153406
Z-Score: 4.1456±0.286329
p-Value: 0.0000470708
Z-Factor: -0.957992
Fitness Defect: 9.9639
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2006-12-22 YYYY-MM-DD
Plate CH Control (+):0.039474999999999996±0.00202
Plate DMSO Control (-):0.6219250000000001±0.03031
Plate Z-Factor:0.8217
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 14085 | Additional Members: 3 | Rows returned: 1
LOPAC 01057 0

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