COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL445114
Chemical Name: 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Smiles: CCCSc1nnc2c(n1)OC(/C=C/c1ccc(o1)[N+](=O)[O-])Nc1c2cccc1

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Molecular Weight: 411.44
Empirical Formula: C19H17N5O4S

Physical State: Dry powder
Available Amount: 44 mg

Lipinsky:
logP: 4.242
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 144
Number of rings: 4

     

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