COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980019
Chemical Name: 1-[3-(butylsulfanyl)-6-(4-chloro-3-nitrophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CCCCSc1nnc2c(n1)OC(c1ccc(c(c1)[N+](=O)[O-])Cl)N(c1c2cccc1)C(=O)C

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Molecular Weight: 485.95
Empirical Formula: C22H20ClN5O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.269
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 139
Number of rings: 4

     

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