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Compound InformationSONAR Target prediction
Name:

METHYL DEOXYCHOLATE

Unique Identifier:SPE00270051
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:364.265 g/mol
X log p:-0.0670000000000001  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:5
Canonical Smiles:COC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
Class:sterol
Source:rabbit bile & feces
Reference:Helv Chim Acta 25:797 (1942); J Biol Chem 238: 3846 (1963)
Generic_name:METHYL NONANOATE (ESTER)
Chemical_iupac_name:METHYL NONANOATE (ESTER)
Drug_type:Experimental
Drugbank_id:EXPT02376
Drug_category:Neutrophil Gelatinase inhibitor
Organisms_affected:-1

Found: 41 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [41]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.5003±0.0147078
Normalized OD Score: sc h 0.8462±0.0206107
Z-Score: -6.7976±1.21133
p-Value: 0.00000000141598
Z-Factor: 0.0796161
Fitness Defect: 20.3754
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|C11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2006-03-24 YYYY-MM-DD
Plate CH Control (+):0.038424999999999994±0.00113
Plate DMSO Control (-):0.654025±0.02504
Plate Z-Factor:0.8488
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DBLink | Rows returned: 709[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [119]
231998 12-methoxy-12-oxo-dodecanoic acid
235779 methyl 4-[4-(3-methoxycarbonylpropyl)cyclohexyl]butanoate
235788 methyl 3-[4-[[4-(2-methoxycarbonylethyl)cyclohexyl]methyl]cyclohexyl]propanoate
236356 11-methoxy-11-oxo-undecanoic acid
239036 methyl 6-cyclohexylhexanoate
247016 methyl
(4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H
-cyclopenta[a]phenanthren-17-yl]pentanoate

internal high similarity DBLink | Rows returned: 7<< Back 1 2
JFD 01973 1.0000

active | Cluster 2228 | Additional Members: 18 | Rows returned: 6
SPE01500835 0.309859154929578
SPE01500605 0.3
SPE01500837 0.3
Prest256 0.3
SPE01500906 0
Prest88 0

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