| Compound Information | SONAR Target prediction | | Name: | Clomiphene citrate (Z,E) | | Unique Identifier: | Prest757 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C32ClH36NO8 | | 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 |
| Species: |
9606 |
| Condition: |
TMPPre003 |
| Replicates: |
2 |
| Raw OD Value: r im |
17565.0000±0 |
| Normalized OD Score: sc h |
0.9712±0 |
| Z-Score: |
-0.8013±0 |
| p-Value: |
0.422958 |
| Z-Factor: |
-5.6856 |
| Fitness Defect: |
0.8605 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 5|H8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.80 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 18290±2002.70234 | | Plate DMSO Control (-): | 18264.5±1013.26960 | | Plate Z-Factor: | -63.2184 |
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ps
pdf |
| 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: 4 | |
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