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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: 49 nonactive | as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 Next >> [49]
Species: 4932
Condition: TOP1
Replicates: 2
Raw OD Value: r im 0.5816±0.00318198
Normalized OD Score: sc h 0.9837±0.0240216
Z-Score: -0.2371±0.349091
p-Value: 0.810324
Z-Factor: -6.96394
Fitness Defect: 0.2103
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Maybridge1000
Plate Number and Position:8|A8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.80 Celcius
Date:2006-05-25 YYYY-MM-DD
Plate CH Control (+):0.03945±0.00126
Plate DMSO Control (-):0.558775±0.01948
Plate Z-Factor:0.8468
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DBLink | Rows returned: 20372 3 4 5 6 7 8 9 10  Next >> [340]
957 octan-1-ol
1107 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
1213 4,8a-dimethyldecalin-4a-ol
1254 5-methyl-2-propan-2-yl-cyclohexan-1-ol
2682 hexadecan-1-ol
3240 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a
]phenanthren-3-ol

internal high similarity DBLink | Rows returned: 382 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 1300 | Additional Members: 1 | Rows returned: 0

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