| Compound Information | SONAR Target prediction | | Name: | Cyproterone acetate | | Unique Identifier: | Prest1208 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C24ClH29O4 | | Molecular Weight: | 390.731 g/mol | | X log p: | 3.24 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 60.44 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 3 | | Canonical Smiles: | CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC21C)C(C)=O |
| Species: |
9606 |
| Condition: |
TMPPre002 |
| Replicates: |
2 |
| Raw OD Value: r im |
4509.0000±0 |
| Normalized OD Score: sc h |
0.7248±0 |
| Z-Score: |
-6.2040±0 |
| p-Value: |
0.000000000550312 |
| Z-Factor: |
-4.08267 |
| Fitness Defect: |
21.3205 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 14|D5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.60 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 666±537.71391 | | Plate DMSO Control (-): | 769.5±270.43450 | | Plate Z-Factor: | -41.4809 |
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ps
pdf |
| 2714 |
(17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-y
l) acetate |
| 2914 |
n/a |
| 9324 |
[(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclo
penta[a]phenanthren-17-yl] acetate |
| 9875 |
[(9S,14S,16R,17R)-17-acetyl-6-chloro-10,13,16-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopen
ta[a]phenanthren-17-yl] acetate |
| 9880 |
n/a |
| 31125 |
[(17R)-17-acetyl-6-chloro-13-methyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17
-yl] acetate |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 5652 | Additional Members: 7 | Rows returned: 1 | |
|
