| Compound Information | SONAR Target prediction | | Name: | Trimeprazine tartrate | | Unique Identifier: | Prest144 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C58H72N6O6S3 | | Molecular Weight: | 972.855 g/mol | | X log p: | 17.975 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 31.78 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CC(CN(C)C)CN1c2ccccc2Sc2ccccc12.CC(CN(C)C)CN1c2ccccc2Sc2ccccc12.CC(CN(
C)C)CN1c2ccccc2Sc2ccccc12.OC(C(O)C(O)=O)C(O)=O |
| Species: |
9606 |
| Condition: |
TMPPre003 |
| Replicates: |
2 |
| Raw OD Value: r im |
11856.0000±0 |
| Normalized OD Score: sc h |
0.9549±0 |
| Z-Score: |
-1.2555±0 |
| p-Value: |
0.209314 |
| Z-Factor: |
-5.16998 |
| Fitness Defect: |
1.5639 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 11|E3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.20 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 21969.5±7626.88802 | | Plate DMSO Control (-): | 12948±7402.41727 | | Plate Z-Factor: | -6.2689 |
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| DBLink | Rows returned: 5 | |
| 441236 |
(2R,3R)-2,3-dihydroxybutanedioic acid; N,N,2-trimethyl-3-phenothiazin-10-yl-propan-1-amine |
| 5702128 |
2,3-dihydroxybutanedioic acid; N,N,2-trimethyl-3-phenothiazin-10-yl-propan-1-amine |
| 6419902 |
2,3-dihydroxybutanedioic acid; N,N,2-trimethyl-3-phenothiazin-10-yl-propan-1-amine |
| 6451200 |
(2R,3R)-2,3-dihydroxybutanedioic acid; N,N,2-trimethyl-3-phenothiazin-10-yl-propan-1-amine |
| 6604495 |
(2R,3S)-2,3-dihydroxybutanedioic acid; (2S)-N,N,2-trimethyl-3-phenothiazin-10-yl-propan-1-amine |
| internal high similarity DBLink | Rows returned: 0 | |
| nonactive | Cluster 15250 | Additional Members: 5 | Rows returned: 1 | |
|
