COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK085176
Chemical Name: (2E)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyano-3-(4-nitrophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc(cc1)[N+](=O)[O-])/C(=O)Nc1scc(n1)c1ccc(cc1)Br

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Molecular Weight: 455.29
Empirical Formula: C19H11BrN4O3S

Physical State: Dry powder
Available Amount: 195 mg

Lipinsky:
logP: 5.016
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 139
Number of rings: 3

     

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