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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: 41 nonactive | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [41]
Species: 4932
Condition: MED2
Replicates: 2
Raw OD Value: r im 0.5389±0.00148492
Normalized OD Score: sc h 0.9513±0.00607535
Z-Score: -2.1503±0.232831
p-Value: 0.033843
Z-Factor: -1.33797
Fitness Defect: 3.386
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:21|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2008-04-29 YYYY-MM-DD
Plate CH Control (+):0.040975±0.00043
Plate DMSO Control (-):0.54945±0.01563
Plate Z-Factor:0.8997
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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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