COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529076
Chemical Name: (12bS)-7-(4-ethylphenyl)-2-(2-hydroxyethyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: OCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1ccc(cc1)CC)cccc3

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Molecular Weight: 417.51
Empirical Formula: C25H27N3O3

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 2.569
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 76
Number of rings: 5

     

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