COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK251954
Chemical Name: 3-methyl-4-nitro-N-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide
Smiles: S=C(Nc1cc(ccc1N1CCCC1)C(F)(F)F)NC(=O)c1ccc(c(c1)C)[N+](=O)[O-]

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Molecular Weight: 452.46
Empirical Formula: C20H19F3N4O3S

Physical State: Dry powder
Available Amount: 923 mg

Lipinsky:
logP: 5.465
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 122
Number of rings: 3

     

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