COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL017007
Chemical Name: (2E)-N-[5-(3-chlorobenzyl)-1,3-thiazol-2-yl]-2-cyano-3-(3-nitrophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1cccc(c1)[N+](=O)[O-])/C(=O)Nc1ncc(s1)Cc1cccc(c1)Cl

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Molecular Weight: 424.87
Empirical Formula: C20H13ClN4O3S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 5.06
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 139
Number of rings: 3

     

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