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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: 8 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.4601±0.0779939
Normalized OD Score: sc h 0.6248±0.0445702
Z-Score: -8.2332±1.54141
p-Value: 0.00000000000045565
Z-Factor: 0.0579057
Fitness Defect: 28.4171
Bioactivity Statement: Active
Experimental Conditions
Library:Maybridge1000
Plate Number and Position:8|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2006-05-30 YYYY-MM-DD
Plate CH Control (+):0.039900000000000005±0.00200
Plate DMSO Control (-):0.73025±0.05411
Plate Z-Factor:0.6662
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DBLink | Rows returned: 130[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [22]
559321 n/a
560050 5-(2-methyl-1,3-dioxolan-2-yl)pentan-1-ol
560242 2-methyl-2-tridecyl-1,3-dioxolane
567360 n/a
567411 n/a
567412 n/a

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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