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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: 493 nonactive | as graph: single | with analogs [1] << Back 111 112 113 114 115 116 117 118 119 120  Next >> [493]
Species: 4932
Condition: SPE00270029
Replicates: 2
Raw OD Value: r im 0.5881±0.0464569
Normalized OD Score: sc h 1.0566±0.0313061
Z-Score: 0.7037±0.523223
p-Value: 0.510792
Z-Factor: -11.8604
Fitness Defect: 0.6718
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.50 Celcius
Date:2006-12-21 YYYY-MM-DD
Plate CH Control (+):0.03945±0.00994
Plate DMSO Control (-):0.569925±0.03906
Plate Z-Factor:0.7608
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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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