COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL122261
Chemical Name: 4-bromo-N-{[5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2C)[N+](=O)[O-])nnc1CNC(=O)c1ccc(cc1)Br

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Molecular Weight: 545.42
Empirical Formula: C22H21BrN6O4S

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 5.309
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 160
Number of rings: 3

     

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