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Compound InformationSONAR Target prediction
Name:

2-(4,4-dimethylcyclohexyl)propan-2-ol

Unique Identifier:NRB 02318
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C11H22O
Molecular Weight:148.117 g/mol
X log p:-0.528  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:1
Canonical Smiles:CC(C)(O)C1CCC(C)(C)CC1
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: 1 active | as graph: single | with analogs
Species: 4932
Condition: SWE1
Replicates: 2
Raw OD Value: r im 0.6354±0.00643467
Normalized OD Score: sc h 0.8382±0.0241815
Z-Score: -9.8086±1.09272
p-Value: 8.13258e-20
Z-Factor: 0.230419
Fitness Defect: 43.9558
Bioactivity Statement: Active
Experimental Conditions
Library:Maybridge1000
Plate Number and Position:8|A8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.40 Celcius
Date:2007-08-22 YYYY-MM-DD
Plate CH Control (+):0.03955±0.00272
Plate DMSO Control (-):0.74005±0.01428
Plate Z-Factor:0.9201
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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: 38<< Back 1 2 3 4 5 6 7 Next >> 
BTB 12900 1.0000
BTB 14983 1.0000
BTB 14993 1.0000
BTB 15026 1.0000
BTBG 00137 1.0000
BTBG 00154 1.0000

active | Cluster 1300 | Additional Members: 1 | Rows returned: 0
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