Submission Details

TRY-UNI-9f475305
Molecule(s):
Cc1ccncc1NC(=O)Cc1cc(C#N)ccc1CN1CCC(O)CC1

TRY-UNI-9f475305-1

Cc1ccncc1NC(=O)Cc1cc(C#N)ccc1CN1CCC(O)CC1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)CC(c1csc(C#N)c1)N1CCC(O)CC1

TRY-UNI-9f475305-2

Cc1ccncc1NC(=O)CC(c1csc(C#N)c1)N1CCC(O)CC1

Cc1nnc(C(C(=O)Nc2cnccc2C)c2cccc(Cl)c2)s1

TRY-UNI-9f475305-3

Cc1nnc(C(C(=O)Nc2cnccc2C)c2cccc(Cl)c2)s1

3-aminopyridine-like Check Availability on Manifold View
Cc1nnc(C(C(=O)Nc2cnccc2C)N2CCC=C(F)C2)s1

TRY-UNI-9f475305-4

Cc1nnc(C(C(=O)Nc2cnccc2C)N2CCC=C(F)C2)s1

3-aminopyridine-like Check Availability on Manifold View
Cc1nnc(C(C(=O)Nc2cnccc2C)N2CCCC(F)C2)s1

TRY-UNI-9f475305-5
Duplicate of:
PET-SGC-01d224dd-1

Cc1nnc(C(C(=O)Nc2cnccc2C)N2CCCC(F)C2)s1

Duplicate 3-aminopyridine-like Check Availability on Manifold View
Cc1cc(CN(C(=O)Cc2cccc(C#N)c2)C(=O)NC2CC2)no1

TRY-UNI-9f475305-6

Cc1cc(CN(C(=O)Cc2cccc(C#N)c2)C(=O)NC2CC2)no1

Cc1cc(CN(C(=O)Cc2cccc(Cl)c2)C(=O)NC2CC2)no1

TRY-UNI-9f475305-7

Cc1cc(CN(C(=O)Cc2cccc(Cl)c2)C(=O)NC2CC2)no1

Cc1cc(CN(C(=O)NC2CC2)C(=O)C(C)c2cccc(Cl)c2)no1

TRY-UNI-9f475305-8

Cc1cc(CN(C(=O)NC2CC2)C(=O)C(C)c2cccc(Cl)c2)no1

C=CC(=O)N1CCOC(c2cc(C#N)ccc2CC(=O)Nc2cnccc2C)C1

TRY-UNI-9f475305-9

C=CC(=O)N1CCOC(c2cc(C#N)ccc2CC(=O)Nc2cnccc2C)C1

3-aminopyridine-like Check Availability on Manifold View
CC(=O)NC(Cc1ccc(O)cc1)C(=O)Nc1cccc(C#N)c1

TRY-UNI-9f475305-10

CC(=O)NC(Cc1ccc(O)cc1)C(=O)Nc1cccc(C#N)c1

CC(=O)NC(Cc1ccc(O)cc1)C(=O)Nc1cccc(Cl)c1

TRY-UNI-9f475305-11

CC(=O)NC(Cc1ccc(O)cc1)C(=O)Nc1cccc(Cl)c1

C=CC(=O)N1Cc2ccccc2C(c2cccc(C#N)c2)C1C(=O)Nc1cnccc1C

TRY-UNI-9f475305-12

C=CC(=O)N1Cc2ccccc2C(c2cccc(C#N)c2)C1C(=O)Nc1cnccc1C

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 x2572, x2646, x2649, x0387, x0395, x0397, x0759, x0967, x1392

Inspired By:
Discussion:

Contributor: Tryfon Zarganis, University of Oxford - Mon, 11 May 2020 23:37:23 +0000