127191-97-3
Product Name:
KN-62
Formula:
C38H35N5O6S2
Synonyms:
(S)-5-Isoquinolinesulfonic acid 4-[2-[(5-isoquinolinylsulfonyl)methylamino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl ester;1-[N,O- bis-(5-Isoquinolinesulfonyl)-N-methyl-L-tyrosyl]-4-phenylpiperazine, P2X Antagonist II, Purinergic Receptor P2X Antagonist II;1-[N,O-bis-(5-Isoquinolinesulfonyl)-N-methyl-L-tyrosyl]-4-phenylpiperazine, P2X Antagonist II, Purinergic Receptor P2X Antagonist II;1-[N,O-bis(5-Isoquinolinesulfonyl)-N-methyl-L -tyrosyl]-4-phenylpiperazine;KN-62 - CAS 127191-97-3 - Calbiochem
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 721.8 g/mol |
|---|---|
| XLogP3 | 5.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 10 |
| Exact Mass | 721.20287620 g/mol |
| Monoisotopic Mass | 721.20287620 g/mol |
| Topological Polar Surface Area | 147 Ų |
| Heavy Atom Count | 51 |
| Formal Charge | 0 |
| Complexity | 1370 |
| 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 |
PRODUCT INTRODUCTION
description
5-isoquinolinesulfonic acid [4-[(2S)-2-[5-isoquinolinylsulfonyl(methyl)amino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl] ester is a member of piperazines.