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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 41 42 43 44 45 46 47 48 49 50  Next >> [74]
Species: 4932
Condition: MED2
Replicates: 2
Raw OD Value: r im 0.4705±0.0296278
Normalized OD Score: sc h 0.8476±0.0445971
Z-Score: -6.7255±2.07247
p-Value: 0.0000000720116
Z-Factor: -0.924945
Fitness Defect: 16.4464
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|C4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2008-04-29 YYYY-MM-DD
Plate CH Control (+):0.0406±0.00046
Plate DMSO Control (-):0.5464249999999999±0.02599
Plate Z-Factor:0.8902
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DBLink | Rows returned: 2037[1] << Back 211 212 213 214 215 216 217 218 219 220  Next >> [340]
3080622 n/a
3081571 4-[4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexan-1-ol
3082055 n/a
3082861 n/a
3083682 n/a
3084097 (3S,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,1
2,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-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 4444 | Additional Members: 3 | Rows returned: 1
SPE00310015 0.490566037735849

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