COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK271129
Chemical Name: 2-{[5-(3,4-dimethoxybenzyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitropyridine
Smiles: CCn1c(nnc1Sc1ccc(cn1)[N+](=O)[O-])Cc1ccc(c(c1)OC)OC

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Molecular Weight: 401.45
Empirical Formula: C18H19N5O4S

Physical State: Dry powder
Available Amount: 116 mg

Lipinsky:
logP: 3.729
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 133
Number of rings: 3

     

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