COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL182147
Chemical Name: 3-[({[5-(4-chlorobenzyl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: O=C(Nc1cccc(c1)C(=O)O)CSc1nnc(n1CC(C)C)Cc1ccc(cc1)Cl

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Molecular Weight: 458.97
Empirical Formula: C22H23ClN4O3S

Physical State: Dry powder
Available Amount: 116 mg

Lipinsky:
logP: 5.699
Rotatable bonds: 8
H-donors: 2
H-acceptors: 3
PSA: 122
Number of rings: 3

     

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