| Compound Information | SONAR Target prediction | | Name: | CLOMIPHENE CITRATE | | Unique Identifier: | SPE01500196 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 561.797 g/mol | | X log p: | 30.354 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 12.47 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 9 | | Canonical Smiles: | CCN(CC)CCOc1ccc(cc1)C(=C(Cl)c1ccccc1)c1ccccc1.OC(=O)CC(O)(CC(O)=O)C(O)
=O | | Source: | synthetic | | Therapeutics: | gonad stimulating principle |
| Species: |
4932 |
| Condition: |
KRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6591±0.0436992 |
| Normalized OD Score: sc h |
1.0194±0.0377797 |
| Z-Score: |
0.8097±1.59318 |
| p-Value: |
0.402086 |
| Z-Factor: |
-8.07188 |
| Fitness Defect: |
0.9111 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 5|D7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 29.80 Celcius | | Date: | 2008-04-02 YYYY-MM-DD | | Plate CH Control (+): | 0.053825±0.00467 | | Plate DMSO Control (-): | 0.617325±0.01529 | | Plate Z-Factor: | 0.8648 |
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| DBLink | Rows returned: 3 | |
| 60974 |
2-[4-(2-chloro-1,2-diphenyl-ethenyl)phenoxy]-N,N-diethyl-ethanamine;
2-hydroxypropane-1,2,3-tricarboxylic acid |
| 3033832 |
2-[4-[(E)-2-chloro-1,2-diphenyl-ethenyl]phenoxy]-N,N-diethyl-ethanamine;
2-hydroxypropane-1,2,3-tricarboxylic acid |
| 6420009 |
2-[4-[(E)-2-chloro-1,2-diphenyl-ethenyl]phenoxy]-N,N-diethyl-ethanamine;
2-hydroxypropane-1,2,3-tricarboxylic acid |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 3471 | Additional Members: 6 | Rows returned: 3 | |
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