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Compound InformationSONAR Target prediction
Name:

EPICOPROSTEROL

Unique Identifier:SPE01504056
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C27H48O
Molecular Weight:341.296 g/mol
X log p:1.606  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:5
Canonical Smiles:CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
Source:ex mammalian excretions
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: 101 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: BCK2
Replicates: 2
Raw OD Value: r im 0.7617±0.00565685
Normalized OD Score: sc h 1.0186±0.0085075
Z-Score: 0.7662±0.262656
p-Value: 0.451378
Z-Factor: -3.75532
Fitness Defect: 0.7955
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|E5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2006-03-29 YYYY-MM-DD
Plate CH Control (+):0.037875±0.00166
Plate DMSO Control (-):0.730375±0.01398
Plate Z-Factor:0.9595
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DBLink | Rows returned: 2037[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [340]
7634 5-ethylnonan-2-ol
7720 2-ethylhexan-1-ol
7735 [4-(hydroxymethyl)cyclohexyl]methanol
7792 3,7-dimethyloctan-1-ol
8129 heptan-1-ol
8174 decan-1-ol

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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