Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 381 382 383 384 385 386 387 388 389 390  Next >> [493]
Species: 4932
Condition: SWE1
Replicates: 2
Raw OD Value: r im 0.7239±0.0217789
Normalized OD Score: sc h 0.9828±0.010478
Z-Score: -0.9628±0.392164
p-Value: 0.35399
Z-Factor: -6.22615
Fitness Defect: 1.0385
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:6|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2008-05-13 YYYY-MM-DD
Plate CH Control (+):0.040900000000000006±0.00038
Plate DMSO Control (-):0.704475±0.01231
Plate Z-Factor:0.9395
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory