COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL169858
Chemical Name: 6-[3-bromo-5-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Smiles: CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(Br)c(c(c1)OCC)OCC=C

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Molecular Weight: 557.51
Empirical Formula: C26H29BrN4O3S

Physical State: Dry powder
Available Amount: 22 mg

Lipinsky:
logP: 6.846
Rotatable bonds: 11
H-donors: 1
H-acceptors: 3
PSA: 103
Number of rings: 4

     

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