COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK523938
Chemical Name: ethyl[5-({2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanoyl}amino)-1,3,4-thiadiazol-2-yl]acetate
Smiles: CCOC(=O)Cc1nnc(s1)NC(=O)C(Sc1nnc2c(n1)n(C)c1c2cc(cc1)Br)CC

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Molecular Weight: 550.46
Empirical Formula: C20H20BrN7O3S2

Physical State: Dry powder
Available Amount: 332 mg

Lipinsky:
logP: 4.163
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 178
Number of rings: 4

     

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