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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 341 342 343 344 345 346 347 348 349 350  Next >> [493]
Species: 4932
Condition: SPE00100528
Replicates: 2
Raw OD Value: r im 0.8408±0.0222032
Normalized OD Score: sc h 1.0230±0.0160547
Z-Score: 0.7744±0.636197
p-Value: 0.483174
Z-Factor: -9.70121
Fitness Defect: 0.7274
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.00 Celcius
Date:2006-11-17 YYYY-MM-DD
Plate CH Control (+):0.039599999999999996±0.00271
Plate DMSO Control (-):0.814675±0.02111
Plate Z-Factor:0.8787
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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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