COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980236
Chemical Name: 1-{6-[3-(prop-2-en-1-yloxy)phenyl]-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Smiles: C=CCOc1cccc(c1)C1Oc2nc(SCC=C)nnc2c2c(N1C(=O)CC)cccc2

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Molecular Weight: 460.56
Empirical Formula: C25H24N4O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.637
Rotatable bonds: 8
H-donors: 0
H-acceptors: 3
PSA: 102
Number of rings: 4

     

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