Bioactive Compound Details
| BioID | bio197645 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1795025 |
| Molecular Formula | C20H22N2O6 |
| Molecular Weight | 386.4 |
| Molecular Weight (Monoisotopic) | 270.1368 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Ciproxifan With But-2-Enedioic Acid |
| Smiles | O=C(O)/C=C/C(=O)O.O=C(c1ccc(OCCCc2c[nH]cn2)cc1)C1CC1 |
| Inchi | InChI=1S/C16H18N2O2.C4H4O4/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14;5-3(6)1-2-4(7)8/h5-8,10-12H,1-4,9H2,(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+ |
| Inchi Key | RLQFKEYRALXXEJ-WLHGVMLRSA-N |
| Molecular Species | NEUTRAL |
| Targets | 8.0 |
| Bioactivities | 9.0 |
| Np Likeness Score | -0.62 |
| Records Key | ['14'] |
| Records Name | ['Ciproxifan with but-2-enedioic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
