| Compound Information | SONAR Target prediction | | Name: | ERGOSTEROL ACETATE | | Unique Identifier: | SPE00200744 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 416.341 g/mol | | X log p: | 9.421 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 6 | | Canonical Smiles: | CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4C(C)(C)C(CCC4(C)C3CCC12C)OC(C)=O | | Class: | sterol | | Source: | derivative; mp 179-181 C |
| Species: |
4932 |
| Condition: |
SRL3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7248±0.00190919 |
| Normalized OD Score: sc h |
1.0265±0.00389899 |
| Z-Score: |
1.5182±0.218064 |
| p-Value: |
0.133506 |
| Z-Factor: |
-1.55888 |
| Fitness Defect: |
2.0136 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 12|D5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.20 Celcius | | Date: | 2008-09-17 YYYY-MM-DD | | Plate CH Control (+): | 0.0416±0.00092 | | Plate DMSO Control (-): | 0.6893250000000001±0.01327 | | Plate Z-Factor: | 0.9334 |
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ps
pdf |
| 281927 |
[17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phen
anthren-3-yl] acetate |
| 4035379 |
[17-(5,6-dimethylhept-3-en-2-yl)-4,4,10,13-tetramethyl-1,2,3,9,11,12,14,15,16,17-decahydrocyclopenta[a]p
henanthren-3-yl] acetate |
| 4206521 |
[17-(5-ethyl-6-methyl-hept-3-en-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a
]phenanthren-3-yl] acetate |
| 5363270 |
[17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]
phenanthren-3-yl] acetate |
| 5379846 |
[10,13-dimethyl-17-[(E)-7-methyl-5-propan-2-yl-oct-5-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyc
lopenta[a]phenanthren-3-yl] acetate |
| 5993710 |
[17-[(E)-5,6-dimethylhept-3-en-2-yl]-4,4,10,13-tetramethyl-1,2,3,9,11,12,14,15,16,17-decahydrocyclopenta
[a]phenanthren-3-yl] acetate |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 5085 | Additional Members: 3 | Rows returned: 1 | |
|
