COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK179012
Chemical Name: 1-{3,5-bis[(3,4-dimethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}propan-1-one
Smiles: CCC(=O)n1nc(nc1NCc1ccc(c(c1)OC)OC)NCc1ccc(c(c1)OC)OC

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Molecular Weight: 455.51
Empirical Formula: C23H29N5O5

Physical State: Dry powder
Available Amount: 270 mg

Lipinsky:
logP: 2.46
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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