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Compound InformationSONAR Target prediction
Name:

N-ACETYLPROLINE

Unique Identifier:SPE01500704
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C7H11NO3
Molecular Weight:146.08 g/mol
X log p:-1.206  (online calculus)
Lipinksi Failures0
TPSA37.38
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:CC(=O)N1CCCC1C(O)=O
Therapeutics:antirheumatic
Generic_name:N-ACETYLPROLINE
Chemical_iupac_name:1-ACETYL-D-PROLINE
Drug_type:Experimental
Drugbank_id:EXPT02279
Logp:-0.48
Drug_category:Carbapenem Synthase inhibitor
Organisms_affected:-1

Found: 114 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [114]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.7090±0.0160513
Normalized OD Score: sc h 1.0245±0.0144385
Z-Score: 1.3250±0.764408
p-Value: 0.24743
Z-Factor: -6.84676
Fitness Defect: 1.3966
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:21|D7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.04235±0.00058
Plate DMSO Control (-):0.6687±0.13766
Plate Z-Factor:0.2940
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DBLink | Rows returned: 6
66141 (2S)-1-acetylpyrrolidine-2-carboxylic acid
322640 1-acetylpyrrolidine-2-carboxylic acid
719436 (2R)-1-acetylpyrrolidine-2-carboxylic acid
2810164 1-acetylpyrrolidine-2-carboxylic acid hydrate
6927011 (2R)-1-acetylpyrrolidine-2-carboxylate
6927012 (2S)-1-acetylpyrrolidine-2-carboxylate

internal high similarity DBLink | Rows returned: 2
SEW 04242 0.9818
HTS 01510 1.0000

active | Cluster 1058 | Additional Members: 7 | Rows returned: 0
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