PROTAC BRD4 Degrader-20

Chemical Information
| CAS Number | 2086300-61-8 |
| PubChem CID | 126620317 |
| IUPAC Name | (2S,4R)-1-[(2S)-2-[[5-[3-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]cyclobutyl]oxy-1-benzofuran-2-carbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide |
| Molecular Formula | C55H58ClN9O7S2 |
| Molecular Weight | 1056.7 |
| XLogP | 8.8 |
| Topological Polar Surface Area | 263 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 14 |
| Heavy Atom Count | 74 |
| Formal Charge | 0 |
| Complexity | 2050 |
| Property | Value |
|---|---|
| Molecular Weight | 1056.7 |
| XLogP3 | 8.8 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 14 |
| Exact Mass | 1055.3589153 |
| Monoisotopic Mass | 1055.3589153 |
| Topological Polar Surface Area | 263 Ų |
| Heavy Atom Count | 74 |
| Formal Charge | 0 |
| Complexity | 2050 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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