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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 2 3 4 5 6 7 8 9 10  Next >> [67]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.6680±0.00403051
Normalized OD Score: sc h 0.9132±0.0136145
Z-Score: -4.4044±0.585479
p-Value: 0.000033699
Z-Factor: -0.437222
Fitness Defect: 10.298
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:10|G10
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09325±0.00348
Plate DMSO Control (-):0.7475±0.02359
Plate Z-Factor:0.8668
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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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