COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL443199
Chemical Name: (5Z)-5-benzylidene-3-{[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]methyl}-1,3-thiazolidine-2,4-dione
Smiles: O=C1S/C(=C\c2ccccc2)/C(=O)N1CN1CCN(CC1)c1c(Cl)cccc1[N+](=O)[O-]

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Molecular Weight: 458.93
Empirical Formula: C21H19ClN4O4S

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 6.49
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 114
Number of rings: 4

     

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