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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 21 22 23 24 25 26 27 28 29 30  Next >> [67]
Species: 4932
Condition: DRS2
Replicates: 2
Raw OD Value: r im 0.6419±0.0101823
Normalized OD Score: sc h 0.8944±0.00978568
Z-Score: -4.5597±0.433769
p-Value: 0.0000111162
Z-Factor: 0.15851
Fitness Defect: 11.4071
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:21|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2008-01-11 YYYY-MM-DD
Plate CH Control (+):0.042525±0.00039
Plate DMSO Control (-):0.6959249999999999±0.01280
Plate Z-Factor:0.9452
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 5481 | Additional Members: 8 | Rows returned: 2
SPE01500223 0.172043010752688
SPE01505483 0

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