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Compound InformationSONAR Target prediction
Name:

Estradiol Methyl Ether

Unique Identifier:LAT002A11
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C19H26O2
Molecular Weight:260.202 g/mol
X log p:7.007  (online calculus)
Lipinksi Failures1
TPSA9.23
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:1
Canonical Smiles:COc1ccc2C3CCC4(C)C(O)CCC4C3CCc2c1

Found: 4 active | as graph: single | with analogs 1 2 3 4 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.0767±0.00558614
Normalized OD Score: sc h 0.1213±0.00914038
Z-Score: -24.6967±1.60922
p-Value: 0
Z-Factor: 0.883678
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:LATCA
Plate Number and Position:2|A11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.03955±0.00248
Plate DMSO Control (-):0.647475±0.01609
Plate Z-Factor:0.8987
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DBLink | Rows returned: 89<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
10247071 n/a
10249858 n/a
10334866 n/a
10357700 (8S,9S,13S,14S,17S)-13-ethyl-3-methoxy-9,11-ditritio-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phe
nanthren-17-ol
10430519 n/a
10448247 n/a

internal high similarity DBLink | Rows returned: 2
NRB 03860 1.0000
SPE01501183 1.0000

active | Cluster 3283 | Additional Members: 12 | Rows returned: 71 2 Next >> 
SPE01501191 0.534883720930233
SPE01505077 0.487179487179487
LOPAC 00476 0.460674157303371
SPE01501180 0.416666666666667
SPE01501178 0.333333333333333
SPE01501182 0.305555555555556

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