COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL171184
Chemical Name: 4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-chloro-6-methoxyphenol
Smiles: CCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(Cl)c(c(c1)OC)O

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Molecular Weight: 444.94
Empirical Formula: C21H21ClN4O3S

Physical State: Dry powder
Available Amount: 30 mg

Lipinsky:
logP: 4.306
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 114
Number of rings: 4

     

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