COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK053015
Chemical Name: 2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]ethanone
Smiles: Clc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)COc1cc(C)c(c(c1)C)Cl

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Molecular Weight: 438.31
Empirical Formula: C20H21Cl2N3O4

Physical State: Dry powder
Available Amount: 512 mg

Lipinsky:
logP: 5.637
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 78
Number of rings: 3

     

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