125314-64-9
Product Name:
RO 31-8220 METHANESULFONATE
Formula:
C25H23N5O2S
Synonyms:
2-{1-[3-(Amidinothio)propyl]-1H-indol-3-yl}-3-(1-methylindol-3-yl)maleimide methanesulfonate salt;Bisindoylmaleimidine IX
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COMPUTED DESCRIPTORS
| Molecular Weight | 457.5 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 457.15724617 g/mol |
| Monoisotopic Mass | 457.15724617 g/mol |
| Topological Polar Surface Area | 131 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 845 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Ro 31-8220 is an imidothiocarbamic ester, a member of indoles and a member of maleimides. It has a role as an EC 2.7.11.13 (protein kinase C) inhibitor. It is functionally related to a maleimide.