COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL168399
Chemical Name: ethyl2-({2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)C(Sc2nnc3c(n2)n(C)c2c3cc(cc2)Br)CC)sc2c1CCCC2

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Molecular Weight: 588.55
Empirical Formula: C25H26BrN5O3S2

Physical State: Dry powder
Available Amount: 369 mg

Lipinsky:
logP: 7.591
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 152
Number of rings: 5

     

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