Submission: TRY-UNI-1fd04853

TRY-UNI-1fd04853

Molecule(s):

TRY-UNI-1fd04853-1

CCNc1ncc(C#N)cc1CC(=O)Nc1cnccc1C

3-aminopyridine-like Check Availability on Manifold View

TRY-UNI-1fd04853-2

CCNc1ncc(C#N)cc1NC(=O)Nc1cnccc1C

3-aminopyridine-like Check Availability on Manifold View

TRY-UNI-1fd04853-3

Cc1ccncc1NC(=O)Nc1cc(C#N)cnc1CCNS(C)(=O)=O

3-aminopyridine-like Check Availability on Manifold View

TRY-UNI-1fd04853-4

NS(=O)(=O)c1ccc2scc(CN3CCC(O)CC3)c2c1

Check Availability on Manifold View

TRY-UNI-1fd04853-5

O=C(Cc1c[nH]c2ncccc12)NCc1cccc(Cl)c1

Made Check Availability on Manifold View

TRY-UNI-1fd04853-6

N#Cc1cccc(CNC(=O)Cc2c[nH]c3ncccc23)c1

Check Availability on Manifold View

TRY-UNI-1fd04853-7

O=C(Cc1c[nH]c2ncccc12)NCc1ccc(Cl)cc1

Made Check Availability on Manifold View

TRY-UNI-1fd04853-8

N#Cc1ccc(CNC(=O)Cc2c[nH]c3ncccc23)cc1

Made Check Availability on Manifold View

TRY-UNI-1fd04853-9

O=C(Cc1c[nH]c2ncccc12)NCc1cc(Cl)ccn1

Made Check Availability on Manifold View

TRY-UNI-1fd04853-10

N#Cc1ccnc(CNC(=O)Cc2c[nH]c3ncccc23)c1

Made Check Availability on Manifold View

TRY-UNI-1fd04853-11

O=C(Cc1c[nH]c2ncccc12)NCc1ccc(Cl)cn1

Made Check Availability on Manifold View

TRY-UNI-1fd04853-12

N#Cc1ccc(CNC(=O)Cc2c[nH]c3ncccc23)nc1

Made Check Availability on Manifold View

Design Rationale:

The design of the molecules was done by superimposing the different fragments from the crystal structures (by eye). The reactions should be fairly easy urea formation or amide coupling all from readily available starting materials. Fragments used for the conception of the ideas are the following x0104, x0161, x0195, x0305, x0387, x0678, x1382