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Compound InformationSONAR Target prediction
Name:

FRIEDELIN

Unique Identifier:SPE00100551
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:376.32 g/mol
X log p:1.503  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:0
Canonical Smiles:CC1C(=O)CCC2C1(C)CCC1C2(C)CCC2(C)C3CC(C)(C)CCC3(C)CCC12C
Class:triterpene
Source:Ceratopetalum apetalum D. Don, Cunoniaceae
Reference:J Chem Soc 1954: 473
Generic_name:5ALPHA-ANDROSTAN-3,17-DIONE
Chemical_iupac_name:5ALPHA-ANDROSTAN-3,17-DIONE
Drug_type:Experimental
Drugbank_id:EXPT00262
Drug_category:Estradiol 17 Beta-Dehydrogenase 1 inhibitor
Organisms_affected:-1

Found: 201 nonactive | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [201]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.7304±0.0046669
Normalized OD Score: sc h 1.0193±0.00369774
Z-Score: 1.0488±0.18507
p-Value: 0.298378
Z-Factor: -11.5181
Fitness Defect: 1.2094
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.40 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.0412±0.00025
Plate DMSO Control (-):0.69275±0.12390
Plate Z-Factor:0.4147
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DBLink | Rows returned: 1448[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [242]
11622 tridecan-2-one
12203 decan-4-one
12533 octadecanal
12741 decan-2-one
13162 pentadecan-8-one
13175 decan-5-one

internal high similarity DBLink | Rows returned: 171 2 3 Next >> 
RJC 02257 0.9231
RJC 02979 0.9231
JFD 02406 0.9231
BTBG 00073 0.9231
BTB 14425 0.9231
BTB 13696 0.9231

active | Cluster 183 | Additional Members: 2 | Rows returned: 0
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