COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK509250
Chemical Name: 1-[3-(hexylsulfanyl)-6-(2,4,5-trimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CCCCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(OC)c(cc1OC)OC

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Molecular Weight: 524.64
Empirical Formula: C27H32N4O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.797
Rotatable bonds: 10
H-donors: 0
H-acceptors: 5
PSA: 121
Number of rings: 4

     

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