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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 111 112 113 114 115 116 117 118 119 120  Next >> [144]
Species: 4932
Condition: NPR1
Replicates: 2
Raw OD Value: r im 0.8461±0.0268701
Normalized OD Score: sc h 0.8155±0.0331638
Z-Score: -4.3940±0.426737
p-Value: 0.0000226848
Z-Factor: 0.0721171
Fitness Defect: 10.6938
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:8|A3
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.002975±0.00160
Plate DMSO Control (-):0.9953500000000001±0.02525
Plate Z-Factor:0.9140
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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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