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Compound InformationSONAR Target prediction
Name:

ENOXOLONE

Unique Identifier:SPE01500990
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:425.327 g/mol
X log p:-0.225  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:1
Canonical Smiles:CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC21C)C(O)=O
Class:triterpene
Source:derivative
Therapeutics:antitussive, antiinflammatory, antibacterial

Found: 95 active | as graph: single | with analogs [1] << Back 91 92 93 94 95 Next >> [95]
Species: 4932
Condition: NUP100
Replicates: 2
Raw OD Value: r im 0.8071±0.00155563
Normalized OD Score: sc h 1.0782±0.0123746
Z-Score: 5.3346±0.804379
p-Value: 0.000000942336
Z-Factor: -0.668664
Fitness Defect: 13.8749
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:28.20 Celcius
Date:2007-08-28 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00063
Plate DMSO Control (-):0.735275±0.02082
Plate Z-Factor:0.9061
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DBLink | Rows returned: 77<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
4293810 2,4a,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,14b-dodecahydropicene-2-carboxylate
4609018 4-(3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl
)pentanoic acid
5232706 2-(4a,8-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl)propanoic acid
5283994 (4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahyd
rocyclopenta[a]phenanthren-17-yl]pentanoic acid
5283995 (4R)-4-[(8R,9S,10R,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodeca
hydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
5284007 (4R)-4-[(3R,5R,10S,13S,14R,17R)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,12,14,15,16,17-dodecahydro
cyclopenta[a]phenanthren-17-yl]pentanoic acid

internal high similarity DBLink | Rows returned: 132 3 Next >> 
BTBG 00247 0.9130
SPE01701060 0.9167
LOPAC 00951 0.9167
NRB 03662 0.9565
SPE00307023 0.9565
SB 01709 0.9565

active | Cluster 6100 | Additional Members: 5 | Rows returned: 1
SPE01500989 0

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