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Compound InformationSONAR Target prediction
Name:

Mitoxantrone dihydrochloride

Unique Identifier:Prest571
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22Cl2H30N4O6
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

Found: 3 active as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 274.0000±0
Normalized OD Score: sc h 0.1338±0
Z-Score: -19.5253±0
p-Value: 0
Z-Factor: -0.0472948
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:Prestwick
Plate Number and Position:5|G6
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.80 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):967.5±954.39230
Plate DMSO Control (-):2031±542.13094
Plate Z-Factor:-4.5046
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DBLink | Rows returned: 1
313 hydrogen chloride

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 14085 | Additional Members: 3 | Rows returned: 2
LOPAC 01057 0
SPE01503278 0

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