| Compound Information | SONAR Target prediction | | Name: | Lynestrenol | | Unique Identifier: | Prest533 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C20H28O | | Molecular Weight: | 260.245 g/mol | | X log p: | 2.239 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC12CCC3C(CCC4=CCCCC34)C1CCC2(O)C#C |
| Species: |
9606 |
| Condition: |
TMPPre001 |
| Replicates: |
2 |
| Raw OD Value: r im |
1719.0000±0 |
| Normalized OD Score: sc h |
0.8580±0 |
| Z-Score: |
-3.1997±0 |
| p-Value: |
0.00137545 |
| Z-Factor: |
-15.489 |
| Fitness Defect: |
6.589 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 2|B6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.40 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 979±955.64442 | | Plate DMSO Control (-): | 1983.5±536.09994 | | Plate Z-Factor: | -4.7841 |
|  png
ps
pdf |
| 5857 |
(8R,9R,10R,13S,14S,17S)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]p
henanthren-17-ol |
| 13471 |
(8S,9S,13S,14S,17S)-17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenan
thren-17-ol |
| 28141 |
(9R,14S)-17-ethynyl-13-methyl-2,3,4,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-o
l |
| 66464 |
(8R,9S,10R,13S,14S,17S)-17-ethynyl-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]p
henanthren-17-ol |
| 130191 |
(8R,9R,10R,14S)-13-ethyl-17-ethynyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthre
n-17-ol |
| 246880 |
(5S,8S,9S,10S,13S,14S,17S)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[
a]phenanthren-17-ol |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2558 | Additional Members: 8 | Rows returned: 2 | |
|
