COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK267261
Chemical Name: 2-({4-methyl-5-[2-oxo-2-(phenylamino)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)butanamide
Smiles: CCC(C(=O)Nc1ccc(cc1)[N+](=O)[O-])Sc1nnc(n1C)CC(=O)Nc1ccccc1

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Molecular Weight: 454.51
Empirical Formula: C21H22N6O4S

Physical State: Dry powder
Available Amount: 137 mg

Lipinsky:
logP: 4.143
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 160
Number of rings: 3

     

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