COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980415
Chemical Name: 1-[3-(butylsulfanyl)-6-(3-chloro-4-hydroxy-5-methoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CCCCSc1nnc2c(n1)OC(c1cc(Cl)c(c(c1)OC)O)N(c1c2cccc1)C(=O)C

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Molecular Weight: 486.98
Empirical Formula: C23H23ClN4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.908
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 122
Number of rings: 4

     

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