COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK734095
Chemical Name: ethyl2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanoate
Smiles: CCOC(=O)C(C(=O)C)Sc1nnc(n1c1ccccc1)c1ccc(cc1)Cl

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Molecular Weight: 415.9
Empirical Formula: C20H18ClN3O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.483
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 99
Number of rings: 3

     

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