COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL541913
Chemical Name: (12aS)-2-(2-hydroxy-2-phenylethyl)-6-(2-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccccc1C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CC(c1ccccc1)O

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Molecular Weight: 481.55
Empirical Formula: C29H27N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.918
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 85
Number of rings: 6

     

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