COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL017036
Chemical Name: (2E)-N-[5-(4-bromobenzyl)-1,3-thiazol-2-yl]-3-(4-tert-butylphenyl)-2-cyanoprop-2-enamide
Smiles: N#C/C(=C\c1ccc(cc1)C(C)(C)C)/C(=O)Nc1ncc(s1)Cc1ccc(cc1)Br

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Molecular Weight: 480.43
Empirical Formula: C24H22BrN3OS

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 7.024
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 94
Number of rings: 3

     

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