Submission Details

OLG-UNK-911c2067
Molecule(s):
[N]c1sccc1CN(C(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1

OLG-UNK-911c2067-1

[N]c1sccc1CN(C(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1

3-aminopyridine-like Check Availability on Manifold View
Design Rationale:

Variation of PET-UNK-b75fdf9f-1 with preserved substructure (O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(Cl)cc1) to keep main chemical and physical properties.

Other Notes:

The compound was created and tested purely by ML algorithms.

Inspired By:
Download PDB File
Discussion:

Contributor: Olga Okrut - Tue, 20 Apr 2021 19:21:33 +0000