COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536748
Chemical Name: (12bS)-12b-methyl-2-(3,4,5-trimethoxybenzyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1cc(cc(c1OC)OC)CN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3

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Molecular Weight: 449.51
Empirical Formula: C25H27N3O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.738
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 84
Number of rings: 5

     

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