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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 41 42 43 44 45 46 47 48 49 50  Next >> [88]
Species: 4932
Condition: IKI3
Replicates: 2
Raw OD Value: r im 0.6332±0.0101823
Normalized OD Score: sc h 0.9656±0.00314159
Z-Score: -1.6838±0.229101
p-Value: 0.096486
Z-Factor: -1.73622
Fitness Defect: 2.3384
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|A2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.90 Celcius
Date:2008-06-12 YYYY-MM-DD
Plate CH Control (+):0.040775000000000006±0.00087
Plate DMSO Control (-):0.648775±0.01964
Plate Z-Factor:0.9218
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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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