COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK125169
Chemical Name: N-{[4-ethyl-5-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
Smiles: CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)Nc1ccccc1CC

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Molecular Weight: 467.55
Empirical Formula: C23H25N5O4S

Physical State: Dry powder
Available Amount: 180 mg

Lipinsky:
logP: 3.399
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 132
Number of rings: 4

     

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