COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL265164
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc2c(c1)OCO2)/c1nnc2n1CCCCC2

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Saltdata: HBr
Molecular Weight: 308.34
Empirical Formula: C17H16N4O2

Available Amount: 0 mg

Lipinsky:
logP: 3.152
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 72
Number of rings: 4

     

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