COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536721
Chemical Name: (12aS)-6-(2-ethoxyphenyl)-2-pentyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccccc2OCC)[nH]c2c1cccc2

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Molecular Weight: 445.56
Empirical Formula: C27H31N3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.14
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 65
Number of rings: 5

     

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