COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK114911
Chemical Name: N-{[4-ethyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4-dimethoxybenzamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2C)[N+](=O)[O-])nnc1CNC(=O)c1ccc(c(c1)OC)OC

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Molecular Weight: 514.56
Empirical Formula: C23H26N6O6S

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 3.741
Rotatable bonds: 9
H-donors: 2
H-acceptors: 6
PSA: 178
Number of rings: 3

     

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