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Compound InformationSONAR Target prediction
Name:

3-ethylenedioxy-17-beta-hydroxyandrostane

Unique Identifier:NRB 03720
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H34O3
Molecular Weight:301.231 g/mol
X log p:0.253  (online calculus)
Lipinksi Failures0
TPSA18.46
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:0
Canonical Smiles:CC12CCC3C(CCC4CC5(CCC43C)OCCO5)C1CCC2O

Found: 42 nonactive | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [42]
Species: 4932
Condition: ALG12
Replicates: 2
Raw OD Value: r im 0.6187±0.0280721
Normalized OD Score: sc h 0.9631±0.027297
Z-Score: -1.2868±0.921141
p-Value: 0.288866
Z-Factor: -3.40111
Fitness Defect: 1.2418
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Maybridge1000
Plate Number and Position:8|D8
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:21.00 Celcius
Date:2006-11-01 YYYY-MM-DD
Plate CH Control (+):0.038974999999999996±0.00319
Plate DMSO Control (-):0.6649±0.01645
Plate Z-Factor:0.9155
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DBLink | Rows returned: 130[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [22]
567461 n/a
567485 n/a
567504 1,4-dioxaspiro[4.14]nonadecane
567563 n/a
568283 2-ethyl-2-(5-methoxyheptyl)-1,3-dioxolane
574860 7-methyl-1,4-dioxaspiro[4.5]decane

internal high similarity DBLink | Rows returned: 3
RH 01539 0.9167
BTB 12422 0.9444
NRB 03695 1.0000

active | Cluster 12674 | Additional Members: 6 | Rows returned: 4
Prest1215 0.413793103448276
SPE00107093 0
LOPAC 00683 0
SPE00107100 0

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