COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL265434
Chemical Name: methyl4-{[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nnc2n1CCCCC2

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Molecular Weight: 360.44
Empirical Formula: C17H20N4O3S

Available Amount: 0 mg

Lipinsky:
logP: 3.392
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 111
Number of rings: 3

     

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