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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 31 32 33 34 35 36 37 38 39 40  Next >> [144]
Species: 4932
Condition: SPE00330001
Replicates: 2
Raw OD Value: r im 0.5325±0.0140007
Normalized OD Score: sc h 0.7261±0.0202892
Z-Score: -6.4163±0.0745913
p-Value: 0.00000000014787
Z-Factor: -0.255483
Fitness Defect: 22.6347
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|F6
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:22.30 Celcius
Date:2006-11-15 YYYY-MM-DD
Plate CH Control (+):0.040525000000000005±0.00268
Plate DMSO Control (-):0.735525±0.08110
Plate Z-Factor:0.6918
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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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