| Compound Information | SONAR Target prediction | | Name: | Methyldopate hydrochloride | | Unique Identifier: | Prest1254 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C12ClH18NO4 | | Molecular Weight: | 257.585 g/mol | | X log p: | 4.968 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 35.53 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | Cl.COc1ccc(CC(C)(N)C(O)=O)cc1OC |
| Species: |
9606 |
| Condition: |
TMPPre001 |
| Replicates: |
2 |
| Raw OD Value: r im |
898.0000±0 |
| Normalized OD Score: sc h |
1.0507±0 |
| Z-Score: |
1.1428±0 |
| p-Value: |
0.25312 |
| Z-Factor: |
-48.2797 |
| Fitness Defect: |
1.3739 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 13|H9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.50 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 727.5±605.08760 | | Plate DMSO Control (-): | 773±261.27974 | | Plate Z-Factor: | -83.4256 |
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| 195138 |
(2S)-2-amino-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid trihydrate |
| 195139 |
(2S)-2-amino-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid |
| 275285 |
2-amino-3-(3,4-dimethoxyphenyl)propanoic acid |
| 716488 |
(2R)-2-amino-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid |
| 3831656 |
2-amino-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid |
| 6926457 |
(2R)-2-azaniumyl-3-(3,4-dimethoxyphenyl)-2-methyl-propanoate |
| internal high similarity DBLink | Rows returned: 0 | |
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