COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK115492
Chemical Name: N-({5-[(2-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-3,4-dimethoxybenzamide
Smiles: CCn1c(CNC(=O)c2ccc(c(c2)OC)OC)nnc1SCC(=O)Nc1ccc(cc1C(C)C)Br

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Molecular Weight: 576.51
Empirical Formula: C25H30BrN5O4S

Physical State: Dry powder
Available Amount: 173 mg

Lipinsky:
logP: 5.25
Rotatable bonds: 10
H-donors: 2
H-acceptors: 4
PSA: 132
Number of rings: 3

     

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