COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK326642
Chemical Name: 3'-(benzylsulfanyl)-5-bromo-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one
Smiles: Brc1ccc2c(c1)C1(Oc3nc(SCc4ccccc4)nnc3c3c(N1)cccc3)C(=O)N2

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Molecular Weight: 518.39
Empirical Formula: C24H16BrN5O2S

Physical State: Dry powder
Available Amount: 198 mg

Lipinsky:
logP: 5.291
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 114
Number of rings: 6

     

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