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Compound InformationSONAR Target prediction
Name:

CEDROL

Unique Identifier:SPE00307059
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:197.168 g/mol
X log p:0.0649999999999999  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:0
Canonical Smiles:CC1CCC2C(C)(C)C3CC12CCC3(C)O
Class:sesquiterpene
Source:Common constitutent in the Family Cupressaceae
Reference:J Org Chem 43: 1964 (1978)
Therapeutics:acaricide
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: 74 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [74]
Species: 4932
Condition: CLA4
Replicates: 2
Raw OD Value: r im 0.5997±0.0424971
Normalized OD Score: sc h 0.8836±0.0477157
Z-Score: -5.1738±2.30283
p-Value: 0.000195984
Z-Factor: -2.32355
Fitness Defect: 8.5375
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|F9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2007-09-12 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00053
Plate DMSO Control (-):0.6646±0.04595
Plate Z-Factor:0.7654
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DBLink | Rows returned: 2037[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [340]
12367 nonan-2-ol
12381 heptane-1,7-diol
12397 pentadecan-1-ol
12404 icosan-1-ol
12620 docosan-1-ol
12766 cyclooctanol

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 4444 | Additional Members: 3 | Rows returned: 1
SPE00310015 0.490566037735849

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