COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL482840
Chemical Name: 1-[3-(pentylsulfanyl)-6-(3-phenyl-1H-pyrazol-4-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CCCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1c[nH]nc1c1ccccc1

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Molecular Weight: 486.6
Empirical Formula: C26H26N6O2S

Physical State: Dry powder
Available Amount: 165 mg

Lipinsky:
logP: 5.689
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 122
Number of rings: 5

     

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