| Compound Information | SONAR Target prediction | | Name: | L-3,4-Dihydroxyphenylalanine methyl ester hydrochloride | | Unique Identifier: | LOPAC 00822 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C10ClH14NO4 | | Molecular Weight: | 233.564 g/mol | | X log p: | 6.221 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | Cl.COC(=O)C(N)Cc1ccc(O)c(O)c1 | | Class: | Dopamine | | Action: | Precursor |
| Species: |
4932 |
| Condition: |
ESC2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5075±0.0212132 |
| Normalized OD Score: sc h |
1.0011±0.00142536 |
| Z-Score: |
0.0344±0.0464444 |
| p-Value: |
0.972546 |
| Z-Factor: |
-6.88805 |
| Fitness Defect: |
0.0278 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 5|D7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 28.20 Celcius | | Date: | 2005-11-25 YYYY-MM-DD | | Plate CH Control (+): | 0.039675±0.00158 | | Plate DMSO Control (-): | 0.527025±0.02430 | | Plate Z-Factor: | 0.8771 |
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| 23497 |
methyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate |
| 28934 |
methyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoate |
| 135504 |
methyl (2R)-2-amino-3-(3,4-dihydroxyphenyl)propanoate |
| 424631 |
methyl 2-amino-3-(3,4-dihydroxyphenyl)propanoate |
| 5233030 |
[2-(3,4-dihydroxyphenyl)-1-methoxycarbonyl-ethyl]azanium |
| 6918946 |
[(1S)-2-(3,4-dihydroxyphenyl)-1-methoxycarbonyl-ethyl]azanium |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 12980 | Additional Members: 10 | Rows returned: 2 | |
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