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Compound InformationSONAR Target prediction
Name:

ALENDRONATE SODIUM

Unique Identifier:SPE01505166
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C4H13NO7P2
Molecular Weight:235.993 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:NCCCC(O)(P(O)(O)=O)P(O)(O)=O
Source:synthesis
Reference:Nature 223:211 (1969); Cancer Res 62:2708 (2002); Mol Pharmacol 62:1255 (2002)
Therapeutics:bone resorption inhibitor, farnesyldiphosphate synthetase inhibitor, antimetastatic

Found: 1 active | as graph: single | with analogs
Species: 4932
Condition: ARL3
Replicates: 2
Raw OD Value: r im 0.6181±0.00890955
Normalized OD Score: sc h 0.8987±0.00172196
Z-Score: -4.7775±0.0991736
p-Value: 0.00000187928
Z-Factor: 0.245212
Fitness Defect: 13.1846
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:15|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2008-06-11 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00063
Plate DMSO Control (-):0.6811499999999999±0.01579
Plate Z-Factor:0.9221
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 404 | Additional Members: 1 | Rows returned: 0

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