STAT3 HiBiT degrader 1

Chemical Information
| CAS Number | 2767166-30-1 |
| PubChem CID | 176419287 |
| IUPAC Name | [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-[[(2S)-3-(3,4-difluorophenyl)-1-[4-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]but-3-ynyl]piperidin-1-yl]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]-3-methoxycarbonyl-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid |
| Molecular Formula | C58H63F4N10O14PS |
| Molecular Weight | 1263.2 |
| XLogP | 3 |
| Topological Polar Surface Area | 356 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 19 |
| Heavy Atom Count | 88 |
| Formal Charge | 0 |
| Complexity | 2820 |
| Property | Value |
|---|---|
| Molecular Weight | 1263.2 |
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 19 |
| Exact Mass | 1262.39196754 |
| Monoisotopic Mass | 1262.39196754 |
| Topological Polar Surface Area | 356 Ų |
| Heavy Atom Count | 88 |
| Formal Charge | 0 |
| Complexity | 2820 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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