| Compound Information | SONAR Target prediction | | Name: | Oleandomycin phosphate | | Unique Identifier: | Prest509 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C35H64NO16P | | Molecular Weight: | 721.345 g/mol | | X log p: | -1.844 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 105.29 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 13 | | Rotatable Bond Count: | 6 | | Canonical Smiles: | COC1CC(OC(C)C1O)OC1C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)CC2(CO2)C(=O)C(C)C(O
)C(C)C(C)OC(=O)C1C.OP(O)(O)=O |
| Species: |
9606 |
| Condition: |
TMPPre002 |
| Replicates: |
2 |
| Raw OD Value: r im |
10282.0000±0 |
| Normalized OD Score: sc h |
0.9991±0 |
| Z-Score: |
-0.0192±0 |
| p-Value: |
0.984694 |
| Z-Factor: |
-7.81997 |
| Fitness Defect: |
0.0154 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 2|H3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.40 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 979±955.64442 | | Plate DMSO Control (-): | 1983.5±536.09994 | | Plate Z-Factor: | -4.7841 |
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| DBLink | Rows returned: 3 | |
| 72492 |
(3R,5S,6S,7R,8S,9R,12R,13S,14S,15R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14
-hydroxy-8-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-1,11-diox
aspiro[2.13]hexadecane-10,16-dione; phosphoric acid |
| 5702141 |
(3S,5S,6S,7R,8S,9R,12R,13S,14S,15R)-6-[(3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14-hy
droxy-8-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-1,11-dioxasp
iro[2.13]hexadecane-10,16-dione; phosphoric acid |
| 6419966 |
(3S,5S,6S,7R,8S,9R,12R,13S,14S,15R)-6-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-14-hydroxy-8-(5-
hydroxy-4-methoxy-6-methyl-oxan-2-yl)oxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16
-dione; phosphoric acid |
| internal high similarity DBLink | Rows returned: 0 | |
| nonactive | Cluster 2234 | Additional Members: 5 | Rows returned: 3 | |
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