| Compound Information | SONAR Target prediction | | Name: | TAMOXIFEN CITRATE | | Unique Identifier: | SPE01500557 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 526.344 g/mol | | X log p: | 30.746 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 12.47 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 8 | | Canonical Smiles: | CCC(c1ccccc1)=C(c1ccccc1)c1ccc(OCCN(C)C)cc1.OC(=O)CC(O)(CC(O)=O)C(O)=O | | Source: | synthetic | | Therapeutics: | estrogen antagonist, antineoplastic |
| Species: |
4932 |
| Condition: |
AAT2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.0596±0.00176777 |
| Normalized OD Score: sc h |
0.0818±0.00229018 |
| Z-Score: |
-48.7720±0.951081 |
| p-Value: |
0 |
| Z-Factor: |
0.879971 |
| Fitness Defect: |
INF |
| Bioactivity Statement: |
Toxic |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 6|B3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.80 Celcius | | Date: | 2008-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.04005±0.00053 | | Plate DMSO Control (-): | 0.715775±0.02450 | | Plate Z-Factor: | 0.9275 |
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ps
pdf |
| DBLink | Rows returned: 3 | |
| 23672 |
2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethyl-ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid |
| 2733525 |
2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic
acid |
| 3033630 |
2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic
acid |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 3471 | Additional Members: 6 | Rows returned: 3 | |
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