COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547879
Chemical Name: (12aS)-6-(2,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: OCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccc(cc2OC)OC)[nH]c2c1cccc2

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Molecular Weight: 449.51
Empirical Formula: C25H27N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.868
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 95
Number of rings: 5

     

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