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Compound InformationSONAR Target prediction
Name:

EQUILIN

Unique Identifier:SPE01500275
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:248.191 g/mol
X log p:8.274  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:0
Canonical Smiles:CC12CCC3C(=CCc4cc(O)ccc34)C1CCC2=O
Class:sterol
Source:pregnant mare urine
Therapeutics:estrogen
Generic_name:EQUILIN
Chemical_iupac_name:EQUILIN
Drug_type:Experimental
Drugbank_id:EXPT01355
Drug_category:Estradiol 17 Beta-Dehydrogenase 1 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: YPT6
Replicates: 2
Raw OD Value: r im 0.3149±0.0138593
Normalized OD Score: sc h 0.4879±0.0100735
Z-Score: -6.3513±0.781553
p-Value: 0.00000000334482
Z-Factor: 0.467225
Fitness Defect: 19.5159
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:4|H9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.0411±0.00068
Plate DMSO Control (-):0.50915±0.02329
Plate Z-Factor:0.8365
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DBLink | Rows returned: 3
3247 3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
223368 (9S,13S,14R)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
6604252 (9R,13S,14R)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one

internal high similarity DBLink | Rows returned: 0

active | Cluster 6450 | Additional Members: 2 | Rows returned: 0

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