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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 71 72 73 74 75 76 77 78 79 80  Next >> [144]
Species: 4932
Condition: GBP2
Replicates: 2
Raw OD Value: r im 0.6581±0.00876812
Normalized OD Score: sc h 0.8943±0.0200851
Z-Score: -4.6228±0.780319
p-Value: 0.0000235166
Z-Factor: -0.597211
Fitness Defect: 10.6578
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:6|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.50 Celcius
Date:2008-03-26 YYYY-MM-DD
Plate CH Control (+):0.0405±0.00042
Plate DMSO Control (-):0.7037249999999999±0.02341
Plate Z-Factor:0.9006
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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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