COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK509245
Chemical Name: 1-[3-(hexylsulfanyl)-6-[5-(2-methyl-4-nitrophenyl)furan-2-yl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CCCCCCSc1nnc2c(n1)OC(c1ccc(o1)c1ccc(cc1C)[N+](=O)[O-])N(c1c2cccc1)C(=O)C

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Molecular Weight: 559.65
Empirical Formula: C29H29N5O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.241
Rotatable bonds: 8
H-donors: 0
H-acceptors: 5
PSA: 152
Number of rings: 5

     

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