COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK336241
Chemical Name: 2-[(5-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide
Smiles: CCC(C(=O)Nc1cccc(c1)[N+](=O)[O-])Sc1nnc(n1C)CC(=O)Nc1ccc(cc1)F

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Molecular Weight: 472.5
Empirical Formula: C21H21FN6O4S

Physical State: Dry powder
Available Amount: 143 mg

Lipinsky:
logP: 4.34
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 160
Number of rings: 3

     

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