COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL453860
Chemical Name: 1-(4-nitrophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)ethanone
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nnc2n1CCCCC2

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Molecular Weight: 332.38
Empirical Formula: C15H16N4O3S

Available Amount: 0 mg

Lipinsky:
logP: 2.912
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 118
Number of rings: 3

     

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