COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK179029
Chemical Name: {3,5-bis[(3,4-dimethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(2-nitrophenyl)methanone
Smiles: COc1cc(CNc2nn(c(n2)NCc2ccc(c(c2)OC)OC)C(=O)c2ccccc2[N+](=O)[O-])ccc1OC

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Molecular Weight: 548.56
Empirical Formula: C27H28N6O7

Physical State: Dry powder
Available Amount: 295 mg

Lipinsky:
logP: 3.178
Rotatable bonds: 9
H-donors: 2
H-acceptors: 7
PSA: 154
Number of rings: 4

     

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