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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: 16 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: ASF1
Replicates: 2
Raw OD Value: r im 0.5227±0.00346482
Normalized OD Score: sc h 0.8846±0.00767769
Z-Score: -4.8657±0.289679
p-Value: 0.00000177286
Z-Factor: -0.48241
Fitness Defect: 13.2429
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|A2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2008-01-30 YYYY-MM-DD
Plate CH Control (+):0.043±0.00074
Plate DMSO Control (-):0.5757±0.02693
Plate Z-Factor:0.8591
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 5481 | Additional Members: 8 | Rows returned: 2
SPE01505483 0
SPE01505708 0

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