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Compound InformationSONAR Target prediction
Name:

FUCOSTANOL

Unique Identifier:SPE01504053
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:364.31 g/mol
X log p:1.79  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:6
Canonical Smiles:CCC(CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C
Class:sterol
Source:Calendula officinalis
Reference:J Am Chem Soc 60: 2431 (1938)
Generic_name:5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL
Chemical_iupac_name:5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL
Drug_type:Experimental
Drugbank_id:EXPT00530
Logp:3.73
Drug_category:Sex Hormone-Binding Globulin inhibitor
Organisms_affected:-1

Found: 205 nonactive as graph: single | with analogs [1] << Back 191 192 193 194 195 196 197 198 199 200  Next >> [205]
Species: 4932
Condition: CLN2
Replicates: 2
Raw OD Value: r im 0.6980±0.000707107
Normalized OD Score: sc h 1.0153±0.00315963
Z-Score: 0.3809±0.12214
p-Value: 0.704302
Z-Factor: -12.357
Fitness Defect: 0.3505
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:19|G8
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.086±0.01075
Plate DMSO Control (-):0.8600000000000001±0.04472
Plate Z-Factor:0.7953
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DBLink | Rows returned: 2037[1] << Back 321 322 323 324 325 326 327 328 329 330  Next >> [340]
7567509 (3R,4S)-4-ethyloctan-3-ol
7567513 (3S,4R)-4-ethyloctan-3-ol
7567516 (3S,4S)-4-ethyloctan-3-ol
7567519 (3R)-3-ethyl-2-methyl-heptan-2-ol
7688454 (1S)-1-cyclododecylethanol
7688456 (1R)-1-cyclododecylethanol

internal high similarity DBLink | Rows returned: 381 2 3 4 5 6 7 Next >> 
BTB 12413 0.9231
RJC 00940 0.9231
JFD 01247 0.9231
NRB 02212 0.9231
BTB 14986 0.9231
BTB 14459 0.9231

active | Cluster 2228 | Additional Members: 18 | Rows returned: 71 2 Next >> 
SPE00270051 0.451219512195122
SPE01500835 0.309859154929578
SPE01500605 0.3
SPE01500837 0.3
Prest256 0.3
SPE01500906 0

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