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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 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.9105±0.00940452
Normalized OD Score: sc h 1.0161±0.00753064
Z-Score: 0.3658±0.140693
p-Value: 0.715852
Z-Factor: -4.32064
Fitness Defect: 0.3343
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:6|G2
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.08725±0.00370
Plate DMSO Control (-):0.9445±0.02697
Plate Z-Factor:0.8822
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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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