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Compound InformationSONAR Target prediction
Name:

p-CHLOROPHENYLALANINE

Unique Identifier:SPE01502162
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:189.555 g/mol
X log p:7.634  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:3
Canonical Smiles:NC(Cc1ccc(Cl)cc1)C(O)=O
Source:synthetic
Therapeutics:Irreversible inhibitor of tryptophan hydrxylase

Found: 205 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: ATP4
Replicates: 2
Raw OD Value: r im 0.6408±0.00912168
Normalized OD Score: sc h 1.0019±0.000371588
Z-Score: 0.0684±0.0127207
p-Value: 0.945466
Z-Factor: -31.997
Fitness Defect: 0.0561
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.00 Celcius
Date:2008-03-06 YYYY-MM-DD
Plate CH Control (+):0.0404±0.00080
Plate DMSO Control (-):0.6184499999999999±0.01416
Plate Z-Factor:0.9244
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DBLink | Rows returned: 101 2 Next >> 
4652 2-amino-3-(4-chlorophenyl)propanoic acid
39972 [1-carboxy-2-(4-chlorophenyl)ethyl]azanium chloride
450582 2-amino-3-(4-chlorophenyl)propanoic acid
560265 2-amino-3-(4-chlorophenyl)-2-methyl-propanoic acid
667429 (2R)-2-amino-3-(4-chlorophenyl)propanoic acid
736190 (2S)-2-amino-3-(4-chlorophenyl)propanoic acid

internal high similarity DBLink | Rows returned: 1
LOPAC 00493 1.0000

nonactive | Cluster 1385 | Additional Members: 11 | Rows returned: 6
LOPAC 01033 0.444444444444444
SPE01500382 0.444444444444444
LOPAC 00493 0.384615384615385
LOPAC 00912 0
LAT003F10 0
SPE01502114 0

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