| Compound Information | SONAR Target prediction | | Name: | Methotrimeprazine maleat salt | | Unique Identifier: | Prest1008 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C23H28N2O5S | | Molecular Weight: | 416.323 g/mol | | X log p: | 16.31 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 41.01 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | COc1ccc2Sc3ccccc3N(CC(C)CN(C)C)c2c1.OC(=O)C=CC(O)=O |
| Species: |
9606 |
| Condition: |
TMPPre003 |
| Replicates: |
2 |
| Raw OD Value: r im |
10406.0000±0 |
| Normalized OD Score: sc h |
0.7679±0 |
| Z-Score: |
-6.4584±0 |
| p-Value: |
0.000000000105829 |
| Z-Factor: |
-2.51061 |
| Fitness Defect: |
22.9692 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 10|H8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.30 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 22161±7450.25778 | | Plate DMSO Control (-): | 13194±7524.46004 | | Plate Z-Factor: | -6.8985 |
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ps
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| DBLink | Rows returned: 6 | |
| 18846 |
but-2-enedioic acid; 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine |
| 72286 |
but-2-enedioic acid; (2R)-3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethyl-propan-1-amine |
| 5282484 |
but-2-enedioic acid; (2R)-3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethyl-propan-1-amine |
| 6420056 |
but-2-enedioic acid; 3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethyl-propan-1-amine |
| 6433365 |
but-2-enedioic acid; 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine |
| 6506696 |
but-2-enedioic acid; 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 15250 | Additional Members: 5 | Rows returned: 1 | |
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