COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK117422
Chemical Name: N-{[5-({2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)NCc1nnc(n1CC)SCC(=O)Nc1ccc(cc1F)Br

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Molecular Weight: 522.4
Empirical Formula: C21H21BrFN5O3S

Physical State: Dry powder
Available Amount: 177 mg

Lipinsky:
logP: 4.178
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 123
Number of rings: 3

     

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