COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK002821
Chemical Name: N-(4-chlorobenzyl)-5-[4-(methylsulfonyl)piperazin-1-yl]-2-nitroaniline
Smiles: Clc1ccc(cc1)CNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)C

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Molecular Weight: 424.91
Empirical Formula: C18H21ClN4O4S

Physical State: Dry powder
Available Amount: 241 mg

Lipinsky:
logP: 4.446
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 106
Number of rings: 3

     

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