521984-48-5
Product Name:
SIS3
Formula:
C28H27N3O3HCl
Synonyms:
(2E)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-propenone hydrochloride
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COMPUTED DESCRIPTORS
| Molecular Weight | 490.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 489.1819195 g/mol |
| Monoisotopic Mass | 489.1819195 g/mol |
| Topological Polar Surface Area | 56.6 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 724 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
SIS3 is a hydrochloride resulting from the reaction of SIS3 free base with 1 mol eq. of hydrogen chloride. It has a role as a Smad3 inhibitor. It contains a SIS3 free base(1+).