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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: 493 nonactive | as graph: single | with analogs [1] << Back 481 482 483 484 485 486 487 488 489 490  Next >> [493]
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.5632±0.0354261
Normalized OD Score: sc h 0.8250±0.0454713
Z-Score: -3.6497±0.645437
p-Value: 0.00072332
Z-Factor: -0.314754
Fitness Defect: 7.2317
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:13|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.70 Celcius
Date:2005-12-20 YYYY-MM-DD
Plate CH Control (+):0.039150000000000004±0.00134
Plate DMSO Control (-):0.664525±0.01867
Plate Z-Factor:0.8845
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 14085 | Additional Members: 3 | Rows returned: 2
LOPAC 01057 0
Prest571 0

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