COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL299192
Chemical Name: methyl4-[({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 514.65
Empirical Formula: C29H30N4O3S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 8.916
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 111
Number of rings: 4

     

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