COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK568079
Chemical Name: 2-methoxy-4-({4-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-yl}carbonothioyl)phenolate
Smiles: COc1cc(ccc1[O-])C(=S)N1CC[NH+](CC1)c1cccc(c1)C(F)(F)F

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Molecular Weight: 396.43
Empirical Formula: C19H19F3N2O2S

Physical State: Dry powder
Available Amount: 202 mg

Lipinsky:
logP: 3.466
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 72
Number of rings: 3

     

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