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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 11 12 13 14 15 16 17 18 19 20  Next >> [22]
Species: 4932
Condition: POP2
Replicates: 2
Raw OD Value: r im 0.5733±0.00841457
Normalized OD Score: sc h 0.8838±0.00987385
Z-Score: -5.4306±0.0183026
p-Value: 0.0000000562966
Z-Factor: -3.69775
Fitness Defect: 16.6926
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2007-10-24 YYYY-MM-DD
Plate CH Control (+):0.041225±0.00114
Plate DMSO Control (-):0.6479999999999999±0.09167
Plate Z-Factor:0.5233
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DBLink | Rows returned: 2037[1] << Back 321 322 323 324 325 326 327 328 329 330  Next >> [340]
7567509 (3R,4S)-4-ethyloctan-3-ol
7567513 (3S,4R)-4-ethyloctan-3-ol
7567516 (3S,4S)-4-ethyloctan-3-ol
7567519 (3R)-3-ethyl-2-methyl-heptan-2-ol
7688454 (1S)-1-cyclododecylethanol
7688456 (1R)-1-cyclododecylethanol

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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