COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK666019
Chemical Name: ethyl(2E)-3-amino-2-({[5-(4-nitrobenzyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)but-2-enoate
Smiles: CCOC(=O)/C(=C(/N)\C)/C(=O)CSc1nnc(n1c1ccccc1)Cc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 481.53
Empirical Formula: C23H23N5O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.022
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 171
Number of rings: 3

     

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