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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: 4 active | as graph: single | with analogs << Back 1 2 3 4
Species: 4932
Condition: VPS1
Replicates: 2
Raw OD Value: r im 0.5586±0.000636396
Normalized OD Score: sc h 0.8764±0.0072344
Z-Score: -4.8922±0.127697
p-Value: 0.00000109956
Z-Factor: -7.12208
Fitness Defect: 13.7206
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2007-10-03 YYYY-MM-DD
Plate CH Control (+):0.0403±0.00310
Plate DMSO Control (-):0.635675±0.11574
Plate Z-Factor:0.3704
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DBLink | Rows returned: 1448[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [242]
13187 nonan-2-one
13207 1-cyclohexylethanone
13246 cyclododecanone
13398 3,3,5-trimethylcyclohexan-1-one
13409 n/a
13420 cycloundecanone

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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