COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK412229
Chemical Name: N-{[3-chloro-2-(pyrrolidin-1-yl)phenyl]carbamothioyl}-4-ethoxy-3-nitrobenzamide
Smiles: CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1cccc(c1N1CCCC1)Cl

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Molecular Weight: 448.93
Empirical Formula: C20H21ClN4O4S

Physical State: Dry powder
Available Amount: 327 mg

Lipinsky:
logP: 4.877
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 131
Number of rings: 3

     

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