COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056832
Chemical Name: 2-nitro-4-{(Z)-[4-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-yl}-1,3-thiazol-5(4H)-ylidene]methyl}phenolate
Smiles: O=C1N=C(S/C/1=C\c1ccc(c(c1)[N+](=O)[O-])[O-])N1CC[NH+](CC1)c1cccc(c1)C(F)(F)F

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Molecular Weight: 478.45
Empirical Formula: C21H17F3N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.332
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 131
Number of rings: 4

     

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