| Compound Information | SONAR Target prediction | | Name: | 18-AMINOABIETA-8,11,13-TRIENE SULFATE | | Unique Identifier: | SPE01504234 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 350.284 g/mol | | X log p: | 6.382 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | CC(C)c1ccc2c(CCC3C(C)(CN)CCCC32C)c1.OS(O)(=O)=O | | Class: | diterpene | | Source: | derivative of abietic acid |
| Species: |
4932 |
| Condition: |
CIN8 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6721±0.000919239 |
| Normalized OD Score: sc h |
1.0123±0.00245095 |
| Z-Score: |
0.5707±0.133729 |
| p-Value: |
0.56993 |
| Z-Factor: |
-6.44142 |
| Fitness Defect: |
0.5622 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 12|C4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.70 Celcius | | Date: | 2008-02-06 YYYY-MM-DD | | Plate CH Control (+): | 0.0411±0.00068 | | Plate DMSO Control (-): | 0.647325±0.01853 | | Plate Z-Factor: | 0.8923 |
|  png
ps
pdf |
| DBLink | Rows returned: 1 | |
| 410304 |
(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine; sulfuric acid |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 7722 | Additional Members: 4 | Rows returned: 1 | |
|
