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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 71 72 73 74 75 76 77 78 79 80  Next >> [144]
Species: 4932
Condition: LAT1
Replicates: 2
Raw OD Value: r im 0.7433±0.000141421
Normalized OD Score: sc h 1.1169±0.000120423
Z-Score: 5.7572±0.364531
p-Value: 0.000000019956
Z-Factor: 0.20643
Fitness Defect: 17.7297
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:6|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.20 Celcius
Date:2008-04-23 YYYY-MM-DD
Plate CH Control (+):0.040675±0.00085
Plate DMSO Control (-):0.6481250000000001±0.01861
Plate Z-Factor:0.9022
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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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