COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK548071
Chemical Name: (5E)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-{2-[(4-nitrobenzyl)oxy]benzylidene}-1,3-thiazol-4(5H)-one
Smiles: Clc1cccc(c1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccccc2OCc2ccc(cc2)[N+](=O)[O-])/S1

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Molecular Weight: 535.02
Empirical Formula: C27H23ClN4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.495
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 116
Number of rings: 5

     

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