COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL182044
Chemical Name: 3-({[(4-ethyl-5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoicacid
Smiles: COc1cccc(c1)NC(=O)Cc1nnc(n1CC)SCC(=O)Nc1cccc(c1)C(=O)O

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Molecular Weight: 469.52
Empirical Formula: C22H23N5O5S

Physical State: Dry powder
Available Amount: 113 mg

Lipinsky:
logP: 3.623
Rotatable bonds: 9
H-donors: 3
H-acceptors: 5
PSA: 160
Number of rings: 3

     

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