| CAS Number | 2225940-52-1 |
| Catalog Number | AG01EO9M(AGN-PC-3H46AL) |
| Chemical Name | E3 Ligase Ligand-Linker Conjugates 22 |
| IUPAC Name | 4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione |
| InChI | InChI=1S/C23H32N4O8/c24-6-8-32-10-12-34-14-15-35-13-11-33-9-7-25-17-3-1-2-16-20(17)23(31)27(22(16)30)18-4-5-19(28)26-21(18)29/h1-3,18,25H,4-15,24H2,(H,26,28,29) |
| InChI Key | RMLHAPHCRDKBTD-UHFFFAOYSA-N |
| MDL Number | MFCD31715437 |
| Molecular Formula | C23H32N4O8 |
| Molecular Weight | 492.5222 |
| SMILES | O=C1NC(=O)C(N2C(=O)C=3C=CC=C(NCCOCCOCCOCCOCCN)C3C2=O)CC1 |
| Synonyms | E3 Ligase Ligand-Linker Conjugates 22,
2225940-52-1,
HY-112599,
CS-0058441,
|
| Complexity | 736 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 492.222g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 492.529g/mol |
| Monoisotopic Mass | 492.222g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 159A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
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