COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK412230
Chemical Name: N-{[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl}-4-ethoxy-3-nitrobenzamide
Smiles: CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1cc(Cl)ccc1N1CCN(CC1)C(=O)CC

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Molecular Weight: 520.01
Empirical Formula: C23H26ClN5O5S

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 3.697
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 151
Number of rings: 3

     

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