ND-630 Inhibitor

Chemical Information
Firsocostat is under investigation in clinical trial NCT02781584 (Safety, Tolerability, and Efficacy of Selonsertib, Firsocostat, and Cilofexor in Adults With Nonalcoholic Steatohepatitis (NASH)).
| CAS Number | 1434635-54-7 |
| PubChem CID | 71528744 |
| IUPAC Name | 2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid |
| Molecular Formula | C28H31N3O8S |
| Molecular Weight | 569.6 |
| XLogP | 3.2 |
| Topological Polar Surface Area | 160 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 9 |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 947 |
| Property | Value |
|---|---|
| Molecular Weight | 569.6 |
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 9 |
| Exact Mass | 569.18318613 |
| Monoisotopic Mass | 569.18318613 |
| Topological Polar Surface Area | 160 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 947 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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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