COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL172533
Chemical Name: 3-(ethylsulfanyl)-6-(2,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Smiles: CCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(OC)c(cc1OC)OC

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Molecular Weight: 426.5
Empirical Formula: C21H22N4O4S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 3.07
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 112
Number of rings: 4

     

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