COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK666001
Chemical Name: ethyl(2E)-3-amino-2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}but-2-enoate
Smiles: CCOC(=O)/C(=C(/N)\C)/C(=O)CSc1nnc(n1c1ccccc1)c1ccccc1

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Molecular Weight: 422.51
Empirical Formula: C22H22N4O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.705
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 125
Number of rings: 3

     

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