COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL505804
Chemical Name: 3-({[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-2-methylbenzoicacid
Smiles: O=C(Nc1cccc(c1C)C(=O)O)CSc1nnc2c(n1)n(C)c1c2cc(cc1)Br

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Molecular Weight: 486.35
Empirical Formula: C20H16BrN5O3S

Physical State: Dry powder
Available Amount: 132 mg

Lipinsky:
logP: 4.641
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 135
Number of rings: 4

     

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