COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL182142
Chemical Name: 3-({[(5-{3-[(3-chloro-4-methylphenyl)amino]-3-oxopropyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoicacid
Smiles: O=C(Nc1ccc(c(c1)Cl)C)CCc1nnc(n1C)SCC(=O)Nc1cccc(c1)C(=O)O

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Molecular Weight: 487.97
Empirical Formula: C22H22ClN5O4S

Physical State: Dry powder
Available Amount: 176 mg

Lipinsky:
logP: 4.274
Rotatable bonds: 8
H-donors: 3
H-acceptors: 4
PSA: 151
Number of rings: 3

     

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