COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL442221
Chemical Name: ethyl4-(3-cyano-4-oxo-6,7,8,9,10,10a-hexahydro[1,2,4]triazino[4,3-a]azepin-1(4H)-yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1N=C(C#N)C(=O)N2C1CCCCC2

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Molecular Weight: 340.38
Empirical Formula: C18H20N4O3

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 1.889
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 86
Number of rings: 3

     

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