| Compound Information | SONAR Target prediction |
| Name: | METHYLERGONOVINE MALEATE |
| Unique Identifier: | SPE01500404 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 426.273 g/mol |
| X log p: | 9.761 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 20.31 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 5 |
| Rotatable Bond Count: | 5 |
| Canonical Smiles: | CCC(CO)NC(=O)C1CN(C)C2Cc3cnc4cccc(C2=C1)c34.OC(=O)C=CC(O)=O |
| Source: | semisynthetic |
| Therapeutics: | oxytocic |
| Found: 205 nonactive as graph: single | with analogs | [1] << Back 51 52 53 54 55 56 57 58 59 60 Next >> [205] |
| Species: | 4932 |
| Condition: | QCR8 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6109±0.00523259 |
| Normalized OD Score: sc h | 0.9470±0.00321596 |
| Z-Score: | -2.1931±0.132054 |
| p-Value: | 0.0289898 |
| Z-Factor: | -1.17529 |
| Fitness Defect: | 3.5408 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 0 |
| internal high similarity DBLink | Rows returned: 3 |
| LOPAC 00550 | 0.9146 |
| SPE01500277 | 0.9835 |
| LOPAC 01038 | 1.0000 |
| active | Cluster 4543 | Additional Members: 12 | Rows returned: 1 |
| Prest308 | 0.343283582089552 |
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