COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK028067
Chemical Name: (5E)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-(3-nitrobenzylidene)-1,3-thiazol-4(5H)-one
Smiles: Clc1cccc(c1)N1CCN(CC1)C1=NC(=O)/C(=C\c2cccc(c2)[N+](=O)[O-])/S1

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Molecular Weight: 428.9
Empirical Formula: C20H17ClN4O3S

Physical State: Dry powder
Available Amount: 447 mg

Lipinsky:
logP: 4.005
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 107
Number of rings: 4

     

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