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Compound InformationSONAR Target prediction
Name:

ENALAPRIL MALEATE

Unique Identifier:SPE01501214
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:460.265 g/mol
X log p:9.372  (online calculus)
Lipinksi Failures2
TPSA63.68
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:11
Canonical Smiles:CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CCCC1C(O)=O.OC(=O)C=CC(O)=O
Source:synthetic
Therapeutics:ACE inhibitor, antihypertensive

Found: 205 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: ARL3
Replicates: 2
Raw OD Value: r im 0.6117±0.00763675
Normalized OD Score: sc h 0.9544±0.000492035
Z-Score: -2.1512±0.107156
p-Value: 0.031948
Z-Factor: -0.449441
Fitness Defect: 3.4436
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:8|F9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2008-06-11 YYYY-MM-DD
Plate CH Control (+):0.040150000000000005±0.00228
Plate DMSO Control (-):0.66295±0.01473
Plate Z-Factor:0.9270
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DBLink | Rows returned: 4
5388961 but-2-enedioic acid;
(2S)-1-[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
5462344 but-2-enedioic acid;
(2S)-1-[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
6435926 but-2-enedioic acid;
(2S)-1-[(2S)-2-[[(1R)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
6526385 but-2-enedioic acid;
(2S)-1-[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

internal high similarity DBLink | Rows returned: 0

active | Cluster 1273 | Additional Members: 7 | Rows returned: 0
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