COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537813
Chemical Name: (12aS)-2-(2-hydroxyethyl)-6-[4-(propan-2-yl)phenyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: OCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccc(cc2)C(C)C)[nH]c2c1cccc2

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Molecular Weight: 417.51
Empirical Formula: C25H27N3O3

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 2.448
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 76
Number of rings: 5

     

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