| Compound Information | SONAR Target prediction | | Name: | Cortisone | | Unique Identifier: | Prest132 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C21H28O5 | | Molecular Weight: | 335.246 g/mol | | X log p: | -0.717 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 51.21 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | CC12CCC(=O)C=C1CCC1C3CCC(O)(C(=O)CO)C3(C)CC(=O)C12 |
| Species: |
9606 |
| Condition: |
TMPPre003 |
| Replicates: |
2 |
| Raw OD Value: r im |
18223.0000±0 |
| Normalized OD Score: sc h |
0.9993±0 |
| Z-Score: |
-0.0204±0 |
| p-Value: |
0.983702 |
| Z-Factor: |
-19.1533 |
| Fitness Defect: |
0.0164 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 4|D4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.70 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 18451.5±2414.05033 | | Plate DMSO Control (-): | 18390±2336.55654 | | Plate Z-Factor: | -30.8248 |
|  png
ps
pdf |
| 151150 |
(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,9,12,14,15,16-decahy
drocyclopenta[a]phenanthrene-3,11-dione |
| 222786 |
(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydro
cyclopenta[a]phenanthrene-3,11-dione |
| 259691 |
(2R,8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,9,12,14,15,16-dec
ahydrocyclopenta[a]phenanthrene-3,11-dione |
| 521440 |
17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren
e-3,11-dione |
| 561030 |
17-hydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanth
rene-3,11-dione |
| 3011526 |
(17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phena
nthrene-3,11-dione |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 11390 | Additional Members: 8 | Rows returned: 0 | |
|
