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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 1 2 3 4 5 6 7 8 9 10  Next >> [96]
Species: 4932
Condition: ABP1
Replicates: 2
Raw OD Value: r im 0.5419±0.0297692
Normalized OD Score: sc h 0.7670±0.0379789
Z-Score: -11.8711±1.4027
p-Value: 7.239e-28
Z-Factor: 0.275352
Fitness Defect: 62.4929
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|D9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.10 Celcius
Date:2007-12-20 YYYY-MM-DD
Plate CH Control (+):0.042374999999999996±0.00060
Plate DMSO Control (-):0.677475±0.01209
Plate Z-Factor:0.9526
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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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