COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK138597
Chemical Name: 3,4-dimethoxy-N-{[5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Smiles: C=CCn1c(CNC(=O)c2ccc(c(c2)OC)OC)nnc1SCC(=O)Nc1cc(ccc1C)[N+](=O)[O-]

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Molecular Weight: 526.57
Empirical Formula: C24H26N6O6S

Physical State: Dry powder
Available Amount: 217 mg

Lipinsky:
logP: 3.886
Rotatable bonds: 10
H-donors: 2
H-acceptors: 6
PSA: 178
Number of rings: 3

     

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