Compound Information | SONAR Target prediction | Name: | Dehydroisoandosterone 3-acetate | Unique Identifier: | Prest1157 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C21H30O3 | Molecular Weight: | 303.247 g/mol | X log p: | 1.624 (online calculus) | Lipinksi Failures | 0 | TPSA | 43.37 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 3 | Rotatable Bond Count: | 2 | Canonical Smiles: | CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1 |
Species: |
9606 |
Condition: |
TMPPre001 |
Replicates: |
2 |
Raw OD Value: r im |
843.0000±0 |
Normalized OD Score: sc h |
0.8808±0 |
Z-Score: |
-2.6869±0 |
p-Value: |
0.00721282 |
Z-Factor: |
-6.84897 |
Fitness Defect: |
4.9319 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Prestwick | Plate Number and Position: | 12|F8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 0 nm | Robot Temperature: | 23.30 Celcius | Date: | 2006-10-10 YYYY-MM-DD | Plate CH Control (+): | 758.5±653.58671 | Plate DMSO Control (-): | 822.5±277.54018 | Plate Z-Factor: | -66.6597 |
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3722713 |
(16-ethyl-10,13-dimethyl-17-propanoyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanth ren-3-yl) acetate |
4074803 |
methyl 3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-car boxylate |
4141503 |
(10,13,17-trimethyl-17-propanoyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate |
4345924 |
[10,13-dimethyl-17-(6-methyl-3-oxo-heptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[ a]phenanthren-3-yl] acetate |
4919578 |
[10,13-dimethyl-17-(6-oxoheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanth ren-3-yl] acetate |
5088137 |
(17-acetyl-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate |
internal high similarity DBLink | Rows returned: 0 | |
nonactive | Cluster 7902 | Additional Members: 9 | Rows returned: 6 | |
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