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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 91 92 93 94 95 96 97 98 99 100  Next >> [144]
Species: 4932
Condition: RPN1
Replicates: 2
Raw OD Value: r im 0.5080±0.0146371
Normalized OD Score: sc h 0.7564±0.0219231
Z-Score: -12.3988±1.3803
p-Value: 1.60939e-30
Z-Factor: 0.45271
Fitness Defect: 68.6017
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:6|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2008-05-28 YYYY-MM-DD
Plate CH Control (+):0.040725±0.00318
Plate DMSO Control (-):0.6469750000000001±0.01416
Plate Z-Factor:0.9150
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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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