| Compound Information | SONAR Target prediction | | Name: | TROLEANDOMYCIN | | Unique Identifier: | SPE01502203 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 746.436 g/mol | | X log p: | -0.425 (online calculus) | | Lipinksi Failures | 2 | | TPSA | 184.19 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 16 | | Rotatable Bond Count: | 12 | | Canonical Smiles: | COC1CC(OC(C)C1OC(C)=O)OC1C(C)C(OC2OC(C)CC(C2OC(C)=O)N(C)C)C(C)CC2(CO2)
C(=O)C(C)C(OC(C)=O)C(C)C(C)OC(=O)C1C | | Source: | semisynthetic; TAO, NSC-108166 | | Therapeutics: | antibacterial |
| Species: |
4932 |
| Condition: |
CIN8 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6779±0.00360624 |
| Normalized OD Score: sc h |
1.0034±0.00345421 |
| Z-Score: |
0.3717±0.183046 |
| p-Value: |
0.712444 |
| Z-Factor: |
-5.3856 |
| Fitness Defect: |
0.3391 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 5|B2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.00 Celcius | | Date: | 2008-02-06 YYYY-MM-DD | | Plate CH Control (+): | 0.041125±0.01216 | | Plate DMSO Control (-): | 0.666875±0.01677 | | Plate Z-Factor: | 0.9098 |
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| 6604456 |
[(2R,3S,4R,6S)-6-[[(3S,5R,6S,7S,8S,9R,12S,13R,14R,15R)-14-acetyloxy-6-[(2S,3S,4R,6S)-3-acetyloxy-4-dimet
hylamino-6-methyl-oxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-1,11-dioxaspiro[2.13]hexadec-8-yl]
oxy]-4-methoxy-2-methyl-oxan-3-yl] acetate |
| 6708521 |
[(2S,3S,4S,6S)-6-[[(3S,5S,6S,7R,8S,9R,12R,13S,14S,15R)-14-acetyloxy-6-[(3R,4S,6R)-3-acetyloxy-4-dimethyl
amino-6-methyl-oxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-1,11-dioxaspiro[2.13]hexadec-8-yl]oxy
]-4-methoxy-2-methyl-oxan-3-yl] acetate |
| 6713914 |
[6-[[(5R,6R,7R,8R,9R,12S,13R,15S)-14-acetyloxy-6-(3-acetyloxy-4-dimethylamino-6-methyl-oxan-2-yl)oxy-5,7
,9,12,13,15-hexamethyl-10,16-dioxo-1,11-dioxaspiro[2.13]hexadec-8-yl]oxy]-4-methoxy-2-methyl-oxan-3-yl]
acetate |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 2234 | Additional Members: 5 | Rows returned: 0 | |
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