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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 81 82 83 84 85 86 87 88 89 90  Next >> [144]
Species: 4932
Condition: PMR1
Replicates: 2
Raw OD Value: r im 0.3609±0.00770746
Normalized OD Score: sc h 0.6190±0.0158503
Z-Score: -17.7459±0.350528
p-Value: 0
Z-Factor: 0.651121
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:6|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2008-07-04 YYYY-MM-DD
Plate CH Control (+):0.041975±0.00049
Plate DMSO Control (-):0.5574250000000001±0.01586
Plate Z-Factor:0.9072
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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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