COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK179021
Chemical Name: {3,5-bis[(3,4-dimethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(thiophen-2-yl)methanone
Smiles: COc1cc(CNc2nn(c(n2)NCc2ccc(c(c2)OC)OC)C(=O)c2cccs2)ccc1OC

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Molecular Weight: 509.59
Empirical Formula: C25H27N5O5S

Physical State: Dry powder
Available Amount: 156 mg

Lipinsky:
logP: 3.284
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 137
Number of rings: 4

     

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