| Compound Information | SONAR Target prediction | | Name: | CHOLESTANE | | Unique Identifier: | SPE00300015 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 325.297 g/mol | | X log p: | 2.314 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 0 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | CC(C)CCCC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C | | Source: | semisynthetic | | Generic_name: | ADAMANTANE | | Chemical_iupac_name: | ADAMANTANE | | Drug_type: | Experimental | | Drugbank_id: | EXPT00433 | | Logp: | 2.69 | | Drug_category: | Cytochrome P450Cam inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
BY4741-2nd |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6957±0.00494975 |
| Normalized OD Score: sc h |
0.9820±0.0106076 |
| Z-Score: |
-0.7890±0.391734 |
| p-Value: |
0.447526 |
| Z-Factor: |
-5.21682 |
| Fitness Defect: |
0.804 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|B6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.90 Celcius | | Date: | 2008-02-08 YYYY-MM-DD | | Plate CH Control (+): | 0.04005±0.00043 | | Plate DMSO Control (-): | 0.6682999999999999±0.01979 | | Plate Z-Factor: | 0.9001 |
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ps
pdf |
| 6857525 |
(5R,8S,9R,10S,13S,14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren
e |
| 6857526 |
(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(1R,2R)-2-methyl-2-[(2R)-3-methylbutan-2-yl]cyclop
ropyl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene |
| 6857527 |
(5S,8S,9S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,1
2,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene |
| 6857528 |
(8S,9S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,1
4,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene |
| 6857529 |
(5S,8S,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,1
2,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene |
| 6857530 |
(8S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradeca
hydro-1H-cyclopenta[a]phenanthrene |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
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