COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK540035
Chemical Name: (2Z,4E)-5-(4-nitrophenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]penta-2,4-dienenitrile
Smiles: N#C/C(=C/C=C/c1ccc(cc1)[N+](=O)[O-])/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 404.41
Empirical Formula: C20H12N4O4S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 4.555
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 156
Number of rings: 3

     

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