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Compound InformationSONAR Target prediction
Name:

EPIRUBICIN HYDROCHLORIDE

Unique Identifier:SPE01505708
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C27ClH30NO11
Molecular Weight:549.742 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:Cl.COc1cccc2c(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3c(=O)c12)
C(=O)CO
Source:synthetic; IMI-28
Therapeutics:antineoplastic

Found: 67 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [67]
Species: 4932
Condition: ATP4
Replicates: 2
Raw OD Value: r im 0.5133±0.0092631
Normalized OD Score: sc h 0.7852±0.00850636
Z-Score: -8.0057±0.21115
p-Value: 0.0000000000000021505
Z-Factor: 0.567029
Fitness Defect: 33.7731
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:21|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2008-03-06 YYYY-MM-DD
Plate CH Control (+):0.04145±0.00106
Plate DMSO Control (-):0.638575±0.01372
Plate Z-Factor:0.9193
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 5481 | Additional Members: 8 | Rows returned: 5
LOPAC 00975 0.36734693877551
SPE01500223 0.172043010752688
Prest791 0.172043010752688
SPE01505483 0
Prest188 0

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