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Compound InformationSONAR Target prediction
Name:

EPIANDROSTANEDIOL

Unique Identifier:SPE00107093
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C19H32O2
Molecular Weight:261.21 g/mol
X log p:-0.0960000000000001  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:0
Canonical Smiles:CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2O
Source:ex numerous mammalian tissues
Therapeutics:regulation of puberty in females
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: 22 active | as graph: single | with analogs [1] << Back 21 22 Next >> [22]
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.1534±0.0214253
Normalized OD Score: sc h 0.4215±0.0271813
Z-Score: -5.8885±0.544173
p-Value: 0.0000000187709
Z-Factor: 0.605919
Fitness Defect: 17.791
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.0409±0.00162
Plate DMSO Control (-):0.334025±0.01661
Plate Z-Factor:0.8160
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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: 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 12674 | Additional Members: 6 | Rows returned: 4
NRB 03720 0.416666666666667
Prest1215 0.413793103448276
LOPAC 00683 0
SPE00107100 0

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