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Compound InformationSONAR Target prediction
Name:

DAUNORUBICIN

Unique Identifier:SPE01500223
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C27H29NO10
Molecular Weight:498.29 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(C
)=O
Class:quinone
Source:Streptomyces peucetius; FI-6339, NDC-0082-4155, RP-13057
Therapeutics:antineoplastic

Found: 88 nonactive | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [88]
Species: 4932
Condition: MKK1
Replicates: 2
Raw OD Value: r im 0.8815±0.132229
Normalized OD Score: sc h 1.0143±0.0261975
Z-Score: 0.3877±0.725708
p-Value: 0.633914
Z-Factor: -13.17
Fitness Defect: 0.4558
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:1|H2
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09525±0.00506
Plate DMSO Control (-):0.9664999999999999±0.02195
Plate Z-Factor:0.8798
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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
Prest791 0.172043010752688
SPE01505483 0
SPE01505708 0
Prest188 0

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