COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529115
Chemical Name: (12bS)-2-butyl-7-(3-ethoxy-4-propoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1ccc(c(c1)OCC)OCCC)cccc3

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Molecular Weight: 503.64
Empirical Formula: C30H37N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.961
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 5

     

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