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Compound InformationSONAR Target prediction
Name:

CHOLESTANOL

Unique Identifier:SPE00270078
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 eggs, faces, gall stones, adrenal tissue
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 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.7090±0.00417193
Normalized OD Score: sc h 1.0050±0.00148105
Z-Score: 0.2720±0.0763585
p-Value: 0.785918
Z-Factor: -11.043
Fitness Defect: 0.2409
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|B11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.00 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.041675000000000004±0.00068
Plate DMSO Control (-):0.6857500000000001±0.02249
Plate Z-Factor:0.8773
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DBLink | Rows returned: 2037[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [340]
19576 2-ethylcyclohexan-1-ol
19800 2-butyloctan-1-ol
19835 nonane-1,9-diol
20083 octan-2-ol
20364 6-cyclohexylhexan-1-ol
20508 2-cyclohexylethanol

internal high similarity DBLink | Rows returned: 38<< Back 1 2 3 4 5 6 7
NRB 01845 1.0000
SPE01800055 1.0000

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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