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Compound InformationSONAR Target prediction
Name:

SODIUM DEHYDROCHOLATE

Unique Identifier:SPE01500225
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:392.251 g/mol
X log p:-1.652  (online calculus)
Lipinksi Failures0
TPSA91.34
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:4
Canonical Smiles:[Na+].[O-]C(=O)CCC(C)C1CCC2C3C(CC(=O)C12C)C1(C)CCC(=O)CC1CC3=O
Source:semisynthetic
Therapeutics:choleretic

Found: 1 active | as graph: single | with analogs
Species: 4932
Condition: PEP5
Replicates: 2
Raw OD Value: r im 0.6241±0.0106773
Normalized OD Score: sc h 0.9059±0.0159598
Z-Score: -5.2108±0.985171
p-Value: 0.00000318014
Z-Factor: -0.379783
Fitness Defect: 12.6586
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:3|H2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.00 Celcius
Date:2008-08-14 YYYY-MM-DD
Plate CH Control (+):0.047125±0.00070
Plate DMSO Control (-):0.681575±0.01784
Plate Z-Factor:0.9118
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DBLink | Rows returned: 59<< Back 1 2 3 4 5 6 7 8 9 10 Next >> 
619074 4-(10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)
pentanoic acid
625588 4-(10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)
pentanoic acid
2754288 (4S)-4-[(5S,10S,13R,17R)-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopent
a[a]phenanthren-17-yl]pentanoic acid
2817556 (4R)-4-[(9S,14S)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phena
nthren-17-yl]pentanoic acid
3082288 (4R)-4-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cy
clopenta[a]phenanthren-17-yl]pentanoic acid
3083837 4-[(9S,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenan
thren-17-yl]pentanoic acid

internal high similarity DBLink | Rows returned: 35<< Back 1 2 3 4 5 6 Next >> 
SPE01500835 0.9524
BTB 12971 0.9524
SPE01500906 0.9524
BTB 12974 0.9524
BTB 12979 0.9524
BTB 14981 0.9524

active | Cluster 7145 | Additional Members: 4 | Rows returned: 0
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