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Compound InformationSONAR Target prediction
Name:

5-hydroxydecanoic acid sodium

Unique Identifier:LOPAC 00965
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10H19NaO3
Molecular Weight:191.095 g/mol
X log p:-1.325  (online calculus)
Lipinksi Failures0
TPSA40.13
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:8
Canonical Smiles:[Na+].[O-]C(=O)CCCC(O)CCCCC
Class:K+ Channel
Action:Blocker

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 0.7737±0.0530596
Normalized OD Score: sc h 1.0222±0.0193696
Z-Score: 0.6873±0.758935
p-Value: 0.386384
Z-Factor: -4.7476
Fitness Defect: 0.9509
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:8|G9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.046637500000000005±0.00115
Plate DMSO Control (-):0.7662749999999999±0.04402
Plate Z-Factor:0.9298
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DBLink | Rows returned: 88<< Back 11 12 13 14 15 Next >> 
7158377 (4R)-4-[(3S,5R,7R,8R,9R,10S,13R,14S,17S)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,
16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
7158378 (4R)-4-[(3S,5R,7R,8R,9R,10S,13R,14S,17S)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,
16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
7158380 (4S)-4-[(3S,5R,7R,8R,9R,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,
16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
7158381 (4S)-4-[(3S,5R,7R,8R,9R,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,
16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
7158383 (4R)-4-[(3S,5R,7R,8R,9R,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,
16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
7158384 (4R)-4-[(3S,5R,7R,8R,9R,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,
16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

internal high similarity DBLink | Rows returned: 141 2 3 Next >> 
SPE01500840 0.9130
SPE01500837 0.9130
SPE01500605 0.9130
BTB 09776 0.9167
RH 01730 0.9167
SPE01504104 0.9167

nonactive | Cluster 12601 | Additional Members: 1 | Rows returned: 0
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