| Compound Information | SONAR Target prediction | | Name: | CYPROTERONE | | Unique Identifier: | SPE01503921 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C22ClH27O3 | | Molecular Weight: | 347.686 g/mol | | X log p: | 2.906 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 34.14 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | CC(=O)C1(O)CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC21C | | Therapeutics: | antiandrogen |
| Species: |
4932 |
| Condition: |
DCG1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6951±0.00982878 |
| Normalized OD Score: sc h |
1.0187±0.0187743 |
| Z-Score: |
1.0376±1.04752 |
| p-Value: |
0.420932 |
| Z-Factor: |
-12.1037 |
| Fitness Defect: |
0.8653 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 18|C2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.90 Celcius | | Date: | 2007-10-25 YYYY-MM-DD | | Plate CH Control (+): | 0.040675±0.03740 | | Plate DMSO Control (-): | 0.678225±0.12452 | | Plate Z-Factor: | -0.0355 |
|  png
ps
pdf |
| 3015 |
n/a |
| 16065 |
(9S,14S,17R)-17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a
]phenanthren-3-one |
| 16417 |
n/a |
| 21461 |
17-acetyl-6-chloro-17-hydroxy-10,13,16-trimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanth
ren-3-one |
| 168905 |
(17R)-17-acetyl-6-chloro-17-hydroxy-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthre
n-3-one |
| 5284533 |
(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-c
yclopenta[a]phenanthren-3-one |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 5652 | Additional Members: 7 | Rows returned: 2 | |
|
