COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527692
Chemical Name: (12aR)-2-{[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: Brc1ccc(c(c1)/C=N/N1CC(=O)N2[C@@H](C1=O)Cc1c(C2)[nH]c2c1cccc2)O

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Molecular Weight: 453.3
Empirical Formula: C21H17BrN4O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.383
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 89
Number of rings: 5

     

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