COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL113059
Chemical Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-nitrobenzyl)sulfanyl]ethanone
Smiles: Clc1cccc(c1)N1CCN(CC1)C(=O)CSCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 405.9
Empirical Formula: C19H20ClN3O3S

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 4.102
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 94
Number of rings: 3

     

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