COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK246552
Chemical Name: 2-(3,4-dimethoxyphenyl)-1-{3-(thiophen-2-yl)-5-[(thiophen-2-ylmethyl)amino]-1H-1,2,4-triazol-1-yl}ethanone
Smiles: COc1cc(ccc1OC)CC(=O)n1nc(nc1NCc1cccs1)c1cccs1

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Molecular Weight: 440.55
Empirical Formula: C21H20N4O3S2

Physical State: Dry powder
Available Amount: 274 mg

Lipinsky:
logP: 3.841
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 134
Number of rings: 4

     

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