COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK520873
Chemical Name: 1-[6-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CCSc1nnc2c(n1)OC(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)N(c1c2cccc1)C(=O)C

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Molecular Weight: 506.67
Empirical Formula: C28H34N4O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.729
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 113
Number of rings: 4

     

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