| Compound Information | SONAR Target prediction | | Name: | 3beta-CHLOROANDROSTANONE | | Unique Identifier: | SPE00100586 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C19ClH29O | | Molecular Weight: | 280.663 g/mol | | X log p: | 0.547 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC12CCC(Cl)CC1CCC1C2CCC2(C)C1CCC2=O | | Source: | derivative |
| Species: |
4932 |
| Condition: |
SMI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6043±0.026163 |
| Normalized OD Score: sc h |
1.0016±0.00870655 |
| Z-Score: |
0.0424±0.186533 |
| p-Value: |
0.895158 |
| Z-Factor: |
-35.8059 |
| Fitness Defect: |
0.1108 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 2|D10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.00 Celcius | | Date: | 2005-12-20 YYYY-MM-DD | | Plate CH Control (+): | 0.038375±0.00124 | | Plate DMSO Control (-): | 0.602025±0.02645 | | Plate Z-Factor: | 0.8185 |
|  png
ps
pdf |
| 278632 |
3-chloro-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one |
| 6545165 |
(3R,5R,8R,9R,10S,13R,14S)-3-chloro-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclope
nta[a]phenanthren-17-one |
| 6575230 |
(3S,5S,8S,9S,10R,13S,14R)-3-chloro-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclope
nta[a]phenanthren-17-one |
| 6708555 |
(3S,5S,10S,13S)-3-chloro-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phen
anthren-17-one |
| 7003647 |
(3S,5S,8R,9S,10R,13S,14S)-3-chloro-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclope
nta[a]phenanthren-17-one |
| 7078946 |
(3R,5R,8R,9R,10S,13S,14S)-3-chloro-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclope
nta[a]phenanthren-17-one |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
|
