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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 Next >> 
Species: 4932
Condition: POL32
Replicates: 2
Raw OD Value: r im 0.6910±0.0363453
Normalized OD Score: sc h 0.8767±0.0191909
Z-Score: -6.1426±0.990424
p-Value: 0.0000000263024
Z-Factor: -1.61747
Fitness Defect: 17.4536
Bioactivity Statement: Active
Experimental Conditions
Library:Maybridge1000
Plate Number and Position:8|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.30 Celcius
Date:2007-06-08 YYYY-MM-DD
Plate CH Control (+):0.040650000000000006±0.00099
Plate DMSO Control (-):0.7528000000000001±0.05189
Plate Z-Factor:0.7808
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DBLink | Rows returned: 130[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [22]
7056500 -1
7056502 -1
7056503 -1
7056505 -1
7093737 n/a
7213485 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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