COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK520923
Chemical Name: 1-[6-(5-chloro-2,3-dimethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(Cl)cc(c1OC)OC

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Molecular Weight: 472.95
Empirical Formula: C22H21ClN4O4S

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 4.744
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 111
Number of rings: 4

     

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