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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 371 372 373 374 375 376 377 378 379 380  Next >> [493]
Species: 4932
Condition: NTH1
Replicates: 2
Raw OD Value: r im 0.7375±0.01492
Normalized OD Score: sc h 1.0128±0.025243
Z-Score: 0.6046±1.25654
p-Value: 0.455932
Z-Factor: -8.70034
Fitness Defect: 0.7854
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:6|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-01-23 YYYY-MM-DD
Plate CH Control (+):0.04145±0.00042
Plate DMSO Control (-):0.6800000000000002±0.01861
Plate Z-Factor:0.9044
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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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