COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521676
Chemical Name: [6-(3-iodo-4,5-dimethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl](phenyl)methanone
Smiles: CSc1nnc2c(n1)OC(c1cc(I)c(c(c1)OC)OC)N(c1c2cccc1)C(=O)c1ccccc1

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Molecular Weight: 612.45
Empirical Formula: C26H21IN4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.091
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 111
Number of rings: 5

     

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