COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL169847
Chemical Name: 3-(pentylsulfanyl)-6-[(E)-2-(thiophen-2-yl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Smiles: CCCCCSc1nnc2c(n1)OC(/C=C/c1cccs1)Nc1c2cccc1

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Molecular Weight: 410.56
Empirical Formula: C21H22N4OS2

Physical State: Dry powder
Available Amount: 36 mg

Lipinsky:
logP: 5.928
Rotatable bonds: 7
H-donors: 1
H-acceptors: 1
PSA: 113
Number of rings: 4

     

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