COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536965
Chemical Name: (12aS)-6-(2-ethoxyphenyl)-2-(propan-2-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCOc1ccccc1C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C(C)C

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Molecular Weight: 417.51
Empirical Formula: C25H27N3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.893
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 65
Number of rings: 5

     

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