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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 121 122 123 124 125 126 127 128 129 130  Next >> [144]
Species: 4932
Condition: GAS1
Replicates: 2
Raw OD Value: r im 0.2095±0.0181019
Normalized OD Score: sc h 0.5617±0.0513102
Z-Score: -4.3992±0.967646
p-Value: 0.000101802
Z-Factor: 0.10059
Fitness Defect: 9.1925
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:13|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2006-01-20 YYYY-MM-DD
Plate CH Control (+):0.0429±0.00102
Plate DMSO Control (-):0.36929999999999996±0.02739
Plate Z-Factor:0.6211
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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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