COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK122005
Chemical Name: methyl4-{[({5-[4-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)c1ccc(cc1)NC(=O)C

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Molecular Weight: 439.5
Empirical Formula: C21H21N5O4S

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 3.875
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 140
Number of rings: 3

     

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