COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK736021
Chemical Name: 2-{[4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone
Smiles: CCn1c(SCC(=O)C23CC4CC(C3)CC(C2)C4)nnc1c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 426.54
Empirical Formula: C22H26N4O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.956
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 118
Number of rings: 6

     

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