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Compound InformationSONAR Target prediction
Name:

8-(4-Chlorophenylthio)-cAMP sodium

Unique Identifier:LOPAC 00419
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16ClH14N5NaO6PS
Molecular Weight:479.684 g/mol
X log p:8.861  (online calculus)
Lipinksi Failures2
TPSA143.25
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:11
Rotatable Bond Count:3
Canonical Smiles:[Na+].[O-]P1(=O)OCC2OC(C(O)C2O1)n1c(Sc2ccc(Cl)cc2)nc2c(N)ncnc12
Class:Cyclic Nucleotides
Action:Activator

Found: 24 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.8002±0.0874694
Normalized OD Score: sc h 1.0114±0.0263421
Z-Score: 0.3992±0.921753
p-Value: 0.519076
Z-Factor: -11.2349
Fitness Defect: 0.6557
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:4|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.60 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.04620624999999999±0.00241
Plate DMSO Control (-):0.7474874999999999±0.05282
Plate Z-Factor:0.8689
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DBLink | Rows returned: 6
1903 8-[6-amino-8-(4-chlorophenyl)sulfanyl-purin-9-yl]-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.
0]nonan-9-ol
1904 8-[6-amino-8-(4-chlorophenyl)sulfanyl-purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.
3.0]nonan-9-ol
1905 sodium
8-[6-amino-8-(4-chlorophenyl)sulfanyl-purin-9-yl]-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.
0]nonan-9-ol
91636 (1R,6R,8R,9R)-8-[6-amino-8-(4-chlorophenyl)sulfanyl-purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-pho
sphabicyclo[4.3.0]nonan-9-ol
6604074 sodium
(1S,6S,8R,9R)-8-[6-amino-8-(4-chlorophenyl)sulfanyl-purin-9-yl]-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosp
habicyclo[4.3.0]nonan-9-ol
6604075 (1S,6S,8R,9R)-8-[6-amino-8-(4-chlorophenyl)sulfanyl-purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-pho
sphabicyclo[4.3.0]nonan-9-ol

internal high similarity DBLink | Rows returned: 0

active | Cluster 1044 | Additional Members: 3 | Rows returned: 0
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