COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455447
Chemical Name: N-(4-chlorobenzyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
Smiles: Clc1ccc(cc1)CNC(=S)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 390.89
Empirical Formula: C18H19ClN4O2S

Physical State: Dry powder
Available Amount: 716 mg

Lipinsky:
logP: 3.836
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 96
Number of rings: 3

     

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