COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL182148
Chemical Name: 3-[({[4-ethyl-5-({[(3-methoxyphenyl)carbonyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: COc1cccc(c1)C(=O)NCc1nnc(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: 104 mg

Lipinsky:
logP: 2.867
Rotatable bonds: 10
H-donors: 3
H-acceptors: 5
PSA: 160
Number of rings: 3

     

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