COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK132722
Chemical Name: ethyl4-{[({5-[(4-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)COc1ccc(cc1)Cl

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Molecular Weight: 460.94
Empirical Formula: C21H21ClN4O4S

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 5.223
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 120
Number of rings: 3

     

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