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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 31 32 33 34 35 36 37 38 39 40  Next >> [96]
Species: 4932
Condition: IKI3
Replicates: 2
Raw OD Value: r im 0.4345±0.0739634
Normalized OD Score: sc h 0.6508±0.125034
Z-Score: -16.8385±5.35529
p-Value: 3.10498e-39
Z-Factor: -0.37035
Fitness Defect: 88.6678
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|D9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2008-06-12 YYYY-MM-DD
Plate CH Control (+):0.04105±0.00131
Plate DMSO Control (-):0.654775±0.02099
Plate Z-Factor:0.8788
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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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