COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK839736
Chemical Name: (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-(3-nitrobenzylidene)-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C/c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)c1ccc(c(c1)Cl)C

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Molecular Weight: 442.93
Empirical Formula: C21H19ClN4O3S

Physical State: Dry powder
Available Amount: 235 mg

Lipinsky:
logP: 4.465
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 107
Number of rings: 4

     

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