COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK179013
Chemical Name: 1-{3,5-bis[(3,4-dimethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}butan-1-one
Smiles: CCCC(=O)n1nc(nc1NCc1ccc(c(c1)OC)OC)NCc1ccc(c(c1)OC)OC

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Molecular Weight: 469.54
Empirical Formula: C24H31N5O5

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 2.991
Rotatable bonds: 10
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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