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Compound InformationSONAR Target prediction
Name:

Daunorubicin hydrochloride

Unique Identifier:Prest791
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C27ClH30NO10
Molecular Weight:534.75 g/mol
X log p:3.323  (online calculus)
Lipinksi Failures1
TPSA78.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:11
Rotatable Bond Count:4
Canonical Smiles:Cl.COc1cccc2c(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3c(=O)c12)
C(C)=O

Found: 3 active as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1622.0000±0
Normalized OD Score: sc h 0.8146±0
Z-Score: -4.1796±0
p-Value: 0.0000292
Z-Factor: -9.49457
Fitness Defect: 10.4413
Bioactivity Statement: Active
Experimental Conditions
Library:Prestwick
Plate Number and Position:7|A8
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.10 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):951.5±923.27222
Plate DMSO Control (-):2006±543.99595
Plate Z-Factor:-4.4324
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DBLink | Rows returned: 1
313 hydrogen chloride

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 5481 | Additional Members: 8 | Rows returned: 3
SPE01500223 0.172043010752688
SPE01505483 0
SPE01505708 0

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