COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK248025
Chemical Name: 2-(2,3-dimethylphenoxy)-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)acetamide
Smiles: O=C(NC(=S)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)COc1cccc(c1C)C

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Molecular Weight: 496.51
Empirical Formula: C22H23F3N4O4S

Physical State: Dry powder
Available Amount: 158 mg

Lipinsky:
logP: 5.058
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 122
Number of rings: 3

     

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