| 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: |
MT2481-pdr1pdr3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4502±0.0000707107 |
| Normalized OD Score: sc h |
0.6601±0.0142443 |
| Z-Score: |
-10.7889±0.201423 |
| p-Value: |
9.46232e-27 |
| Z-Factor: |
0.6843 |
| Fitness Defect: |
59.9225 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 2|D10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.20 Celcius | | Date: | 2006-05-02 YYYY-MM-DD | | Plate CH Control (+): | 0.038974999999999996±0.00116 | | Plate DMSO Control (-): | 0.68815±0.01459 | | Plate Z-Factor: | 0.9165 |
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ps
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| 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 | |
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