COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK520943
Chemical Name: 1-{4-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-phenyl-1H-pyrazol-1-yl}ethanone
Smiles: CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cn(nc1c1ccccc1)C(=O)C

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Molecular Weight: 486.55
Empirical Formula: C25H22N6O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.162
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 128
Number of rings: 5

     

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