COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL182150
Chemical Name: 3-({[(5-{2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoicacid
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1CC(=O)Nc1cccc(c1C)C

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Molecular Weight: 467.55
Empirical Formula: C23H25N5O4S

Physical State: Dry powder
Available Amount: 63 mg

Lipinsky:
logP: 4.374
Rotatable bonds: 8
H-donors: 3
H-acceptors: 4
PSA: 151
Number of rings: 3

     

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