Submission Details

MAT-GIT-deadff56
Molecule(s):
CC(=O)NCCc1c[nH]c2ccc(C#N)cc12

MAT-GIT-deadff56-1
Duplicate of:
DUN-NEW-f8ce3686-12

CC(=O)NCCc1c[nH]c2ccc(C#N)cc12

CC(=O)NCCc1c[nH]c2ccc(C#N)c(Cl)c12

MAT-GIT-deadff56-2

CC(=O)NCCc1c[nH]c2ccc(C#N)c(Cl)c12

CC(=O)NCCc1c[nH]c2c(-c3ncoc3C)cc(C#N)c(Cl)c12

MAT-GIT-deadff56-3

CC(=O)NCCc1c[nH]c2c(-c3ncoc3C)cc(C#N)c(Cl)c12

CC(=O)NCCc1c[nH]c2c(-c3ncoc3CC#Cc3cccnc3)cc(C#N)c(Cl)c12

MAT-GIT-deadff56-4

CC(=O)NCCc1c[nH]c2c(-c3ncoc3CC#Cc3cccnc3)cc(C#N)c(Cl)c12

Design Rationale:

Hi, here is a quick idea for growing the fluoroindole fragment (x010) via merging with other fragments and aiming to harness a Met-chloro halogen bond. Best wishes, Matthias Cl added to interact with Met 165

Other Notes:

Very interesting idea - submitted on github (https://github.com/m2ms/fragalysis-frontend/issues/169)

Inspired By:
Discussion:

Contributor: Matthias Bauer, githubsubmission - Mon, 23 Mar 2020 08:43:04 +0000