COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK080268
Chemical Name: (5E)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazol-4(5H)-one
Smiles: Clc1cccc(c1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])O)/S1

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Molecular Weight: 444.9
Empirical Formula: C20H17ClN4O4S

Physical State: Dry powder
Available Amount: 420 mg

Lipinsky:
logP: 3.966
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 127
Number of rings: 4

     

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