COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL482809
Chemical Name: 6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Smiles: CSc1nnc2c(n1)OC(Nc1c2cccc1)c1c(C)nn(c1Cl)c1ccccc1

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Molecular Weight: 436.92
Empirical Formula: C21H17ClN6OS

Physical State: Dry powder
Available Amount: 380 mg

Lipinsky:
logP: 4.208
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 103
Number of rings: 5

     

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