COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK246040
Chemical Name: 4-chloro-N-{[4-ethyl-5-({2-[(3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)[N+](=O)[O-])nnc1CNC(=O)c1ccc(cc1)Cl

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Molecular Weight: 474.93
Empirical Formula: C20H19ClN6O4S

Physical State: Dry powder
Available Amount: 131 mg

Lipinsky:
logP: 4.147
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 160
Number of rings: 3

     

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