COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK346341
Chemical Name: 2,6-dimethoxy-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)benzamide
Smiles: COc1cccc(c1C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)OC

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Molecular Weight: 498.48
Empirical Formula: C21H21F3N4O5S

Physical State: Dry powder
Available Amount: 120 mg

Lipinsky:
logP: 3.615
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 131
Number of rings: 3

     

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