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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 471 472 473 474 475 476 477 478 479 480  Next >> [493]
Species: 4932
Condition: SHM2
Replicates: 2
Raw OD Value: r im 0.8401±0.0130108
Normalized OD Score: sc h 1.0228±0.0103417
Z-Score: 0.8383±0.352186
p-Value: 0.416262
Z-Factor: -2.47643
Fitness Defect: 0.8764
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:13|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2006-04-08 YYYY-MM-DD
Plate CH Control (+):0.037849999999999995±0.00220
Plate DMSO Control (-):0.796025±0.01396
Plate Z-Factor:0.9399
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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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