COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521122
Chemical Name: 1-[3-(prop-2-en-1-ylsulfanyl)-6-(2-propoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CCCOc1ccccc1C1Oc2nc(SCC=C)nnc2c2c(N1C(=O)C)cccc2

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Molecular Weight: 448.55
Empirical Formula: C24H24N4O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.363
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 102
Number of rings: 4

     

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