COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521381
Chemical Name: 1-[6-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Smiles: CCCSc1nnc2c(n1)OC(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)N(c1c2cccc1)C(=O)CC

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Molecular Weight: 534.72
Empirical Formula: C30H38N4O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.792
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 113
Number of rings: 4

     

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