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Compound InformationSONAR Target prediction
Name:

DOXORUBICIN

Unique Identifier:SPE01505483
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C27H29NO11
Molecular Weight:514.289 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:COc1cccc2c(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3c(=O)c12)C(=
O)CO
Source:semisynthetic
Therapeutics:antineoplastic

Found: 96 active | as graph: single | with analogs [1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [96]
Species: 4932
Condition: UBP6
Replicates: 2
Raw OD Value: r im 0.4317±0.0362039
Normalized OD Score: sc h 0.6498±0.0280853
Z-Score: -14.1201±0.276619
p-Value: 2.24208e-44
Z-Factor: 0.538323
Fitness Defect: 100.5063
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|D9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2008-01-24 YYYY-MM-DD
Plate CH Control (+):0.042225±0.00240
Plate DMSO Control (-):0.641975±0.01639
Plate Z-Factor:0.8907
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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
SPE01505708 0
Prest188 0

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