COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK557847
Chemical Name: (5Z)-5-(2-chlorobenzylidene)-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1ccccc1Cl)N1CCN(CC1)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 428.9
Empirical Formula: C20H17ClN4O3S

Physical State: Dry powder
Available Amount: 285 mg

Lipinsky:
logP: 4.458
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 107
Number of rings: 4

     

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