COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK509087
Chemical Name: 3-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-nitrophenylacetate
Smiles: CSc1nnc2c(n1)OC(c1cc(ccc1[N+](=O)[O-])OC(=O)C)N(c1c2cccc1)C(=O)C

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Molecular Weight: 467.46
Empirical Formula: C21H17N5O6S

Physical State: Dry powder
Available Amount: 95 mg

Lipinsky:
logP: 2.829
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 165
Number of rings: 4

     

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