COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK179026
Chemical Name: 1-{3,5-bis[(3,4-dimethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-methylbutan-1-one
Smiles: COc1cc(CNc2nn(c(n2)NCc2ccc(c(c2)OC)OC)C(=O)CC(C)C)ccc1OC

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Molecular Weight: 483.57
Empirical Formula: C25H33N5O5

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 3.338
Rotatable bonds: 10
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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