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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: 103 nonactive | as graph: single | with analogs [1] << Back 101 102 103
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.4924±0.0217082
Normalized OD Score: sc h 0.9734±0.0479078
Z-Score: -0.7493±1.33676
p-Value: 0.467426
Z-Factor: -11.7403
Fitness Defect: 0.7605
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:15|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.040775±0.00072
Plate DMSO Control (-):0.5088±0.02111
Plate Z-Factor:0.8388
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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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